Temat: "Molecular Docking Simulation" - OpacWWW

Skocz do pozycji: 1.

Tytuł:: Cyclobutanone Inhibitors of Diaminopimelate Desuccinylase (DapE) as Potential New Antibiotics.
Autorzy:: Habeeb Mohammad TS; Department of Chemistry and Biochemistry, Loyola University Chicago, 1032 West Sheridan Road, Chicago, IL 60660, USA.
Kelley EH; Department of Chemistry and Biochemistry, Loyola University Chicago, 1032 West Sheridan Road, Chicago, IL 60660, USA.
Reidl CT; Department of Chemistry and Biochemistry, Loyola University Chicago, 1032 West Sheridan Road, Chicago, IL 60660, USA.
Konczak K; Department of Chemistry and Biochemistry, Loyola University Chicago, 1032 West Sheridan Road, Chicago, IL 60660, USA.
Beulke M; Department of Chemistry and Biochemistry, Loyola University Chicago, 1032 West Sheridan Road, Chicago, IL 60660, USA.
Javier J; Department of Chemistry and Biochemistry, Loyola University Chicago, 1032 West Sheridan Road, Chicago, IL 60660, USA.
Olsen KW; Department of Chemistry and Biochemistry, Loyola University Chicago, 1032 West Sheridan Road, Chicago, IL 60660, USA.
Becker DP; Department of Chemistry and Biochemistry, Loyola University Chicago, 1032 West Sheridan Road, Chicago, IL 60660, USA.; Pokaż więcej
Źródło:: International journal of molecular sciences [Int J Mol Sci] 2024 Jan 22; Vol. 25 (2). Date of Electronic Publication: 2024 Jan 22.
Typ publikacji:: Journal Article
MeSH Terms:: Anti-Bacterial Agents*/pharmacology
Enzyme Inhibitors*/pharmacology
Molecular Docking Simulation

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Skocz do pozycji: 2.

Tytuł:: Lysine-Specific Demethylase 1 Inhibitors: A Comprehensive Review Utilizing Computer-Aided Drug Design Technologies.
Autorzy:: Han D; School of Medical Engineering, Xinxiang Medical University, Xinxiang 453003, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang 453003, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang 453003, China.
Lu J; School of Medical Engineering, Xinxiang Medical University, Xinxiang 453003, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang 453003, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang 453003, China.
Fan B; School of Medical Engineering, Xinxiang Medical University, Xinxiang 453003, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang 453003, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang 453003, China.
Lu W; School of Medical Engineering, Xinxiang Medical University, Xinxiang 453003, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang 453003, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang 453003, China.
Xue Y; School of Medical Engineering, Xinxiang Medical University, Xinxiang 453003, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang 453003, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang 453003, China.
Wang M; School of Medical Engineering, Xinxiang Medical University, Xinxiang 453003, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang 453003, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang 453003, China.
Liu T; School of Medical Engineering, Xinxiang Medical University, Xinxiang 453003, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang 453003, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang 453003, China.
Cui S; School of Forensic, Xinxiang Medical University, Xinxiang 453003, China.
Gao Q; School of Pharmacy, Xinxiang Medical University, Xinxiang 453003, China.
Duan Y; School of Pharmacy, Xinxiang Medical University, Xinxiang 453003, China.
Xu Y; School of Medical Engineering, Xinxiang Medical University, Xinxiang 453003, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang 453003, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang 453003, China.; Pokaż więcej
Źródło:: Molecules (Basel, Switzerland) [Molecules] 2024 Jan 22; Vol. 29 (2). Date of Electronic Publication: 2024 Jan 22.
Typ publikacji:: Journal Article; Review
MeSH Terms:: Enzyme Inhibitors*/pharmacology
Enzyme Inhibitors*/chemistry
Biological Products*
Lysine ; Molecular Docking Simulation ; Artificial Intelligence ; Drug Design ; Histone Demethylases/metabolism ; Structure-Activity Relationship

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Skocz do pozycji: 3.

Tytuł:: Synthesis, kinetic studies and in-silico investigations of novel quinolinyl-iminothiazolines as alkaline phosphatase inhibitors.
Autorzy:: Mustafa MN; Department of Chemistry, Quaid-i-Azam University, Islamabad, Pakistan.
Channar PA; Department of Basic sciences and Humanities, Dawood University of Engineering and Technology, Karachi, Pakistan.
Sarfraz M; College of Pharmacy, Al Ain Campus, Al Ain University, Al Ain, United Arab Emirates.
Saeed A; Department of Chemistry, Quaid-i-Azam University, Islamabad, Pakistan.
Ejaz SA; Department of Pharmaceutical Chemistry, The Islamia University of Bahawalpur, Bahawalpur, Pakistan.
Aziz M; Department of Pharmaceutical Chemistry, The Islamia University of Bahawalpur, Bahawalpur, Pakistan.
Alasmary FA; Department of Chemistry, College of Science, King Saud University, Riyadh, Saudi Arabia.
Alsoqair HY; Department of Chemistry, College of Science, King Saud University, Riyadh, Saudi Arabia.
Raza H; Department of Biological Sciences, College of Natural Sciences, Kongju National University, Gongju, Republic of Korea.
Kim SJ; Department of Biological Sciences, College of Natural Sciences, Kongju National University, Gongju, Republic of Korea.
Hamad A; Faculty of Pharmacy, Grand Asian University Sialkot, Sialkot, Pakistan.; Pokaż więcej
Źródło:: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2023 Dec; Vol. 38 (1), pp. 2163394.
Typ publikacji:: Journal Article
MeSH Terms:: Alkaline Phosphatase*/metabolism
Enzyme Inhibitors*/chemistry
Molecular Docking Simulation ; Kinetics ; Benzamides/pharmacology

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Skocz do pozycji: 4.

Tytuł:: The importance of including the C-terminal domain of PTP1B 1-400 to identify potential antidiabetic inhibitors.
Autorzy:: Coronell-Tovar A; Departamento de Bioquímica, Facultad de Medicina, Laboratorio de Biosensores y Modelaje molecular, Universidad Nacional Autónoma de México, Ciudad de México, México.
Cortés-Benítez F; Departamento de Sistemas Biológicos, División de Ciencias Biológicas y de la Salud, Universidad Autónoma Metropolitana-Xochimilco (UAM-X), Ciudad de México, México.
González-Andrade M; Departamento de Bioquímica, Facultad de Medicina, Laboratorio de Biosensores y Modelaje molecular, Universidad Nacional Autónoma de México, Ciudad de México, México.; Pokaż więcej
Źródło:: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2023 Dec; Vol. 38 (1), pp. 2170369.
Typ publikacji:: Journal Article
MeSH Terms:: Hypoglycemic Agents*/chemistry
Enzyme Inhibitors*/pharmacology
Enzyme Inhibitors*/chemistry
Kinetics ; Suramin ; Molecular Docking Simulation ; Protein Tyrosine Phosphatase, Non-Receptor Type 1 ; Ursolic Acid

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Skocz do pozycji: 5.

Tytuł:: In Vitro and In Vivo Biological Evaluation of Indole-thiazolidine-2,4-dione Derivatives as Tyrosinase Inhibitors.
Autorzy:: Lu L; Guangdong Provincial Key Laboratory of Large Animal Models for Biomedicine, School of Biotechnology and Health Sciences, Wuyi University, Jiangmen 529020, China.
Hu C; Guangdong Provincial Key Laboratory of Large Animal Models for Biomedicine, School of Biotechnology and Health Sciences, Wuyi University, Jiangmen 529020, China.
Min X; Guangdong Provincial Key Laboratory of Large Animal Models for Biomedicine, School of Biotechnology and Health Sciences, Wuyi University, Jiangmen 529020, China.
Liu Z; College of Life Science and Technology, Jinan University, Guangzhou 510632, China.
Xu X; Guangdong Provincial Key Laboratory of Large Animal Models for Biomedicine, School of Biotechnology and Health Sciences, Wuyi University, Jiangmen 529020, China.
Gan L; Guangdong Provincial Key Laboratory of Large Animal Models for Biomedicine, School of Biotechnology and Health Sciences, Wuyi University, Jiangmen 529020, China.; Pokaż więcej
Źródło:: Molecules (Basel, Switzerland) [Molecules] 2023 Nov 07; Vol. 28 (22). Date of Electronic Publication: 2023 Nov 07.
Typ publikacji:: Journal Article
MeSH Terms:: Monophenol Monooxygenase*
Enzyme Inhibitors*/pharmacology
Enzyme Inhibitors*/chemistry
Animals ; Molecular Docking Simulation ; Zebrafish/metabolism ; Indoles/pharmacology ; Melanins

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Skocz do pozycji: 6.

Tytuł:: Polycyclic nitrogen heterocycles as potential thymidine phosphorylase inhibitors: synthesis, biological evaluation, and molecular docking study.
Autorzy:: Aknin K; Faculté de Santé, Faculté de Pharmacie de Paris, Cibles Thérapeutiques et Conception de Médicaments (CiTCoM), CNRS UMR8038, Université de Paris, Paris, France.
Bontemps A; Faculté de Santé, Faculté de Pharmacie de Paris, Cibles Thérapeutiques et Conception de Médicaments (CiTCoM), CNRS UMR8038, Université de Paris, Paris, France.
Farce A; Inserm, CHU Lille, U1286 - INFINITE - Institute for Translational Research in Inflammation, Université de Lille, Lille, France.
Merlet E; Faculté de Santé, Faculté de Pharmacie de Paris, Cibles Thérapeutiques et Conception de Médicaments (CiTCoM), CNRS UMR8038, Université de Paris, Paris, France.
Belmont P; Faculté de Santé, Faculté de Pharmacie de Paris, Cibles Thérapeutiques et Conception de Médicaments (CiTCoM), CNRS UMR8038, Université de Paris, Paris, France.
Helissey P; Faculté de Santé, Faculté de Pharmacie de Paris, Cibles Thérapeutiques et Conception de Médicaments (CiTCoM), CNRS UMR8038, Université de Paris, Paris, France.
Chavatte P; Inserm, CHU Lille, U1286 - INFINITE - Institute for Translational Research in Inflammation, Université de Lille, Lille, France.
Sari MA; Faculté des Sciences, CNRS, UMR 8601, Laboratoire de Chimie et Biochimie Pharmacologiques et Toxicologiques, Université de Paris, Paris, France.
Giorgi-Renault S; Faculté de Santé, Faculté de Pharmacie de Paris, Cibles Thérapeutiques et Conception de Médicaments (CiTCoM), CNRS UMR8038, Université de Paris, Paris, France.
Desbène-Finck S; Faculté de Santé, Faculté de Pharmacie de Paris, Cibles Thérapeutiques et Conception de Médicaments (CiTCoM), CNRS UMR8038, Université de Paris, Paris, France.; Pokaż więcej
Źródło:: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2022 Dec; Vol. 37 (1), pp. 252-268.
Typ publikacji:: Journal Article
MeSH Terms:: Molecular Docking Simulation*
Enzyme Inhibitors/*pharmacology
Heterocyclic Compounds/*pharmacology
Nitrogen/*pharmacology
Polycyclic Compounds/*pharmacology
Thymidine Phosphorylase/*antagonists & inhibitors
Cell Line ; Cell Survival/drug effects ; Dose-Response Relationship, Drug ; Enzyme Inhibitors/chemical synthesis ; Enzyme Inhibitors/chemistry ; Heterocyclic Compounds/chemical synthesis ; Heterocyclic Compounds/chemistry ; Humans ; Molecular Structure ; Nitrogen/chemistry ; Polycyclic Compounds/chemical synthesis ; Polycyclic Compounds/chemistry ; Structure-Activity Relationship ; Thymidine Phosphorylase/metabolism

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Skocz do pozycji: 7.

Tytuł:: Experimental and Theoretical Biological Probing of Schiff Bases as Esterase Inhibitors: Structural, Spectral and Molecular Insights.
Autorzy:: Raza MA; Department of Chemistry, Hafiz Hayat Campus, University of Gujrat, Gujrat 50700, Pakistan.
Mumtaz MW; Department of Chemistry, Hafiz Hayat Campus, University of Gujrat, Gujrat 50700, Pakistan.
Öztürk S; Department of Chemistry, Faculty of Sciences, Ondokuz Mayıs University, Samsun 55139, Türkiye.
Latif M; Department of Biochemistry and Molecular Medicine, College of Medicine, Taibah University, Madinah 42318, Saudi Arabia.; Centre for Genetics and Inherited Diseases (CGID), Taibah University, Madinah 42318, Saudi Arabia.
Aisha; Department of Chemistry, Hafiz Hayat Campus, University of Gujrat, Gujrat 50700, Pakistan.
Ashraf A; Department of Chemistry, University of Lahore, Lahore 54000, Pakistan.
Dege N; Department of Physics, Faculty of Sciences, Ondokuz Mayıs University, Samsun 55139, Türkiye.
Dogan OE; Department of Chemistry, Faculty of Sciences, Ondokuz Mayıs University, Samsun 55139, Türkiye.
Agar E; Department of Chemistry, Faculty of Sciences, Ondokuz Mayıs University, Samsun 55139, Türkiye.
Rehman SU; Department of Chemistry, University of Central Punjab, Lahore 54590, Pakistan.
Noor A; Department of Basic Sciences, Preparatory Year Deanship, King Faisal University, Al Hassa 31982, Saudi Arabia.; Pokaż więcej
Źródło:: Molecules (Basel, Switzerland) [Molecules] 2023 Jul 28; Vol. 28 (15). Date of Electronic Publication: 2023 Jul 28.
Typ publikacji:: Journal Article
MeSH Terms:: Schiff Bases*/chemistry
Enzyme Inhibitors*
Molecular Docking Simulation ; Crystallography, X-Ray ; Magnetic Resonance Spectroscopy ; Esterases

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Skocz do pozycji: 8.

Tytuł:: LSD1-Based Reversible Inhibitors Virtual Screening and Binding Mechanism Computational Study.
Autorzy:: Yin Z; School of Pharmaceutical Sciences, Zhengzhou University, Zhengzhou 450001, China.
Liu S; School of Pharmaceutical Sciences, Zhengzhou University, Zhengzhou 450001, China.
Yang X; School of Pharmaceutical Sciences, Zhengzhou University, Zhengzhou 450001, China.
Chen M; School of Pharmaceutical Sciences, Zhengzhou University, Zhengzhou 450001, China.
Du J; School of Life Sciences, Zhengzhou University, Zhengzhou 450001, China.
Liu H; School of Pharmaceutical Sciences, Zhengzhou University, Zhengzhou 450001, China.; Key Laboratory of Advanced Drug Preparation Technologies, Ministry of Education, Zhengzhou University, Zhengzhou 450001, China.; State Key Laboratory of Esophageal Cancer Prevention & Treatment, Zhengzhou University, Zhengzhou 450001, China.; Key Laboratory of Henan Province for Drug Quality and Evaluation, Zhengzhou University, Zhengzhou 450001, China.; Institute of Drug Discovery and Development, Zhengzhou University, Zhengzhou 450001, China.
Yang L; School of Pharmaceutical Sciences, Zhengzhou University, Zhengzhou 450001, China.; Key Laboratory of Advanced Drug Preparation Technologies, Ministry of Education, Zhengzhou University, Zhengzhou 450001, China.; Pokaż więcej
Źródło:: Molecules (Basel, Switzerland) [Molecules] 2023 Jul 10; Vol. 28 (14). Date of Electronic Publication: 2023 Jul 10.
Typ publikacji:: Journal Article
MeSH Terms:: Enzyme Inhibitors*/pharmacology
Enzyme Inhibitors*/chemistry
Histones*/metabolism
Molecular Docking Simulation ; Structure-Activity Relationship ; Molecular Dynamics Simulation ; Histone Demethylases/metabolism

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Skocz do pozycji: 9.

Tytuł:: Computational Insights into Novel Inhibitor N -(3-( tert -Butylcarbamoyl)-4-methoxyphenyl)-indole and Ingliforib Specific against GP Isoenzyme Dimers Interaction Mechanism.
Autorzy:: Wang Y; Laboratory of Traditional Chinese Medicine Research and Development of Hebei Province, Institute of Traditional Chinese Medicine, Chengde Medical University, Chengde 067000, China.
Li S; Laboratory of Traditional Chinese Medicine Research and Development of Hebei Province, Institute of Traditional Chinese Medicine, Chengde Medical University, Chengde 067000, China.
Yan Z; Laboratory of Traditional Chinese Medicine Research and Development of Hebei Province, Institute of Traditional Chinese Medicine, Chengde Medical University, Chengde 067000, China.
Zhang L; Laboratory of Traditional Chinese Medicine Research and Development of Hebei Province, Institute of Traditional Chinese Medicine, Chengde Medical University, Chengde 067000, China.; Pokaż więcej
Źródło:: Molecules (Basel, Switzerland) [Molecules] 2023 Jun 22; Vol. 28 (13). Date of Electronic Publication: 2023 Jun 22.
Typ publikacji:: Journal Article
MeSH Terms:: Isoenzymes*
Enzyme Inhibitors*/pharmacology
Enzyme Inhibitors*/chemistry
Molecular Docking Simulation ; Glycogen Phosphorylase ; Indoles/pharmacology ; Indoles/chemistry

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Skocz do pozycji: 10.

Tytuł:: Using Machine Learning and Molecular Docking to Leverage Urease Inhibition Data for Virtual Screening.
Autorzy:: Aniceto N; Research Institute for Medicines (iMed.ULisboa), Faculty of Pharmacy, Universidade de Lisboa, 1649-003 Lisbon, Portugal.; Department of Pharmaceutical Sciences and Medicines, Faculty of Pharmacy, Universidade de Lisboa, 1649-003 Lisbon, Portugal.
Albuquerque TS; iBB-Institute for Bioengineering and Biosciences, and Associate Laboratory i4HB-Institute for Health and Bioeconomy at Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa, Portugal.
Bonifácio VDB; iBB-Institute for Bioengineering and Biosciences, and Associate Laboratory i4HB-Institute for Health and Bioeconomy at Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa, Portugal.; Bioengineering Department, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa, Portugal.
Guedes RC; Research Institute for Medicines (iMed.ULisboa), Faculty of Pharmacy, Universidade de Lisboa, 1649-003 Lisbon, Portugal.; Department of Pharmaceutical Sciences and Medicines, Faculty of Pharmacy, Universidade de Lisboa, 1649-003 Lisbon, Portugal.
Martinho N; iBB-Institute for Bioengineering and Biosciences, and Associate Laboratory i4HB-Institute for Health and Bioeconomy at Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa, Portugal.; Pokaż więcej
Źródło:: International journal of molecular sciences [Int J Mol Sci] 2023 May 03; Vol. 24 (9). Date of Electronic Publication: 2023 May 03.
Typ publikacji:: Journal Article
MeSH Terms:: Urease*/metabolism
Enzyme Inhibitors*/chemistry
Molecular Docking Simulation ; Computer Simulation ; Urea

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Skocz do pozycji: 11.

Tytuł:: Dihydropyrimidone Derivatives as Thymidine Phosphorylase Inhibitors: Inhibition Kinetics, Cytotoxicity, and Molecular Docking.
Autorzy:: Cui TM; School of Basic Medicine, Chengdu University of Traditional Chinese Medicine, Chengdu 610075, China.
Altaf M; Department of Biochemistry, Federal Urdu University of Arts, Sciences and Technology, Karachi 75300, Pakistan.
Aldarhami A; Department of Medical Microbiology, Qunfudah Faculty of Medicine, Umm Al-Qura University, Al-Qunfudah 21961, Saudi Arabia.
Bazaid AS; Department of Medical Laboratory Science, College of Applied Medical Sciences, University of Ha'il, Hail 55476, Saudi Arabia.
Saeedi NH; Department of Medical Laboratory Technology, Faculty of Applied Medical Sciences, University of Tabuk, Tabuk 71491, Saudi Arabia.
Alkayyal AA; Department of Medical Laboratory Technology, Faculty of Applied Medical Sciences, University of Tabuk, Tabuk 71491, Saudi Arabia.
Alshabrmi FM; Department of Medical Laboratories, College of Applied Medical Sciences, Qassim University, Buraydah 51452, Saudi Arabia.
Ali F; Department of Chemistry, Federal Urdu University of Arts, Sciences and Technology, Karachi 75300, Pakistan.
Aladhadh M; Department of Food Science and Human Nutrition, College of Agriculture and Veterinary Medicine, Qassim University, Buraydah 51452, Saudi Arabia.
Khan MY; Department of Biology, Faculty of Science, King Abdulaziz University, Jeddah 21589, Saudi Arabia.; Vaccine and Immunotherapy Unit, King Fahad Medical Research Center, King Abdulaziz University, Jeddah 21589, Saudi Arabia.
Alsaiari AA; Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Taif University, Taif 21944, Saudi Arabia.
Ma YR; School of Basic Medicine, Chengdu University of Traditional Chinese Medicine, Chengdu 610075, China.; Pokaż więcej
Źródło:: Molecules (Basel, Switzerland) [Molecules] 2023 Apr 21; Vol. 28 (8). Date of Electronic Publication: 2023 Apr 21.
Typ publikacji:: Journal Article
MeSH Terms:: Thymidine Phosphorylase*
Enzyme Inhibitors*/pharmacology
Animals ; Mice ; Molecular Docking Simulation ; Drug Discovery

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Skocz do pozycji: 12.

Tytuł:: Coumarin-Based Compounds as Inhibitors of Tyrosinase/Tyrosine Hydroxylase: Synthesis, Kinetic Studies, and In Silico Approaches.
Autorzy:: Nunes JA; Biological and Molecular Chemistry Research Group, Institute of Chemistry and Biotechnology, Federal University of Alagoas, AC Simões Campus, Lourival Melo Mota Avenue, s/n, Maceió 57072-970, Alagoas, Brazil.
Araújo RSA; Laboratory of Synthesis and Drug Delivery, Department of Biological Sciences, State University of Paraíba, João Pessoa 58429-500, Paraíba, Brazil.
Silva FND; Laboratory of Organic and Medicinal Synthesis, Federal University of Alagoas, Campus Arapiraca, Manoel Severino Barbosa Avenue, Arapiraca 57309-005, Alagoas, Brazil.
Cytarska J; Department of Chemical Technology and Pharmaceuticals, Faculty of Pharmacy, Collegium Medicum, Nicolaus Copernicus University, Jurasza 2, 85-089 Bydgoszcz, Poland.
Łączkowski KZ; Department of Chemical Technology and Pharmaceuticals, Faculty of Pharmacy, Collegium Medicum, Nicolaus Copernicus University, Jurasza 2, 85-089 Bydgoszcz, Poland.
Cardoso SH; Laboratory of Organic and Medicinal Synthesis, Federal University of Alagoas, Campus Arapiraca, Manoel Severino Barbosa Avenue, Arapiraca 57309-005, Alagoas, Brazil.
Mendonça-Júnior FJB; Laboratory of Synthesis and Drug Delivery, Department of Biological Sciences, State University of Paraíba, João Pessoa 58429-500, Paraíba, Brazil.
Silva-Júnior EFD; Biological and Molecular Chemistry Research Group, Institute of Chemistry and Biotechnology, Federal University of Alagoas, AC Simões Campus, Lourival Melo Mota Avenue, s/n, Maceió 57072-970, Alagoas, Brazil.; Pokaż więcej
Źródło:: International journal of molecular sciences [Int J Mol Sci] 2023 Mar 09; Vol. 24 (6). Date of Electronic Publication: 2023 Mar 09.
Typ publikacji:: Journal Article
MeSH Terms:: Coumarins*/chemistry
Coumarins*/pharmacology
Enzyme Inhibitors*/chemistry
Enzyme Inhibitors*/pharmacology
Melanoma*/drug therapy
Monophenol Monooxygenase*/antagonists & inhibitors
Tyrosine 3-Monooxygenase*/antagonists & inhibitors
Humans ; Kinetics ; Molecular Docking Simulation ; Molecular Structure ; Structure-Activity Relationship

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Skocz do pozycji: 13.

Tytuł:: Thioquinoline derivatives conjugated to thiosemicarbazide as potent tyrosinase inhibitors with anti-melanogenesis properties.
Autorzy:: Noori M; Endocrinology and Metabolism Research Center, Endocrinology and Metabolism Clinical Sciences Institute, Tehran University of Medical Sciences, Tehran, Iran.
Sabourian R; Drug and Food Control Department, Faculty of Pharmacy, Tehran University of Medical Sciences, Tehran, Iran.
Tasharoie A; Drug and Food Control Department, Faculty of Pharmacy, Tehran University of Medical Sciences, Tehran, Iran.
Safavi M; Department of Biotechnology, Iranian Research Organization for Science and Technology (IROST), Tehran, Iran.
Iraji A; Stem Cells Technology Research Center, Shiraz University of Medical Sciences, Shiraz, Iran.; Central Research Laboratory, Shiraz University of Medical Sciences, Shiraz, Iran.
Khalili Ghomi M; Endocrinology and Metabolism Research Center, Endocrinology and Metabolism Clinical Sciences Institute, Tehran University of Medical Sciences, Tehran, Iran.
Dastyafteh N; Endocrinology and Metabolism Research Center, Endocrinology and Metabolism Clinical Sciences Institute, Tehran University of Medical Sciences, Tehran, Iran.
Irajie C; Department of Medical Biotechnology, School of Advanced Medical Sciences and Technologies, Shiraz University of Medical Sciences, Shiraz, Iran.
Zarenezhad E; Stem Cells Technology Research Center, Shiraz University of Medical Sciences, Shiraz, Iran.
Mostafavi Pour SM; Liosa Pharmed Parseh Company, Shiraz, Iran.
Rasekh F; Department of Biology, Payame Noor University(PNU), Tehran, Iran.
Larijani B; Endocrinology and Metabolism Research Center, Endocrinology and Metabolism Clinical Sciences Institute, Tehran University of Medical Sciences, Tehran, Iran.
Amini M; Department of Pharmaceutical Biotechnology, Faculty of Pharmacy, Tehran University of Medical Sciences, Tehran, Iran.
Hajimahmoodi M; Drug and Food Control Department, Faculty of Pharmacy, Tehran University of Medical Sciences, Tehran, Iran. .; Halal Research Center of IRI, Food and Drug Administration, Ministry of Health and Medical Education, Tehran, Iran. .
Mahdavi M; Endocrinology and Metabolism Research Center, Endocrinology and Metabolism Clinical Sciences Institute, Tehran University of Medical Sciences, Tehran, Iran. .; Pokaż więcej
Źródło:: Scientific reports [Sci Rep] 2023 Feb 13; Vol. 13 (1), pp. 2578. Date of Electronic Publication: 2023 Feb 13.
Typ publikacji:: Journal Article
MeSH Terms:: Agaricales*/metabolism
Enzyme Inhibitors*/pharmacology
Enzyme Inhibitors*/chemistry
Monophenol Monooxygenase*/antagonists & inhibitors
Monophenol Monooxygenase*/metabolism
Melanins ; Molecular Docking Simulation ; Molecular Structure ; Structure-Activity Relationship

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Skocz do pozycji: 14.

Tytuł:: Theoretical study of myriocin-binding mechanism targeting serine palmitoyltransferase.
Autorzy:: Yu L; School of Inspection and Testing Certification, Changzhou Vocational Institute of Engineering, Changzhou, China.
Jiang Y; School of Pharmaceutical Sciences, Jiangnan University, Wuxi, China.
Xu L; Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou, China.
Jin J; School of Pharmaceutical Sciences, Jiangnan University, Wuxi, China.
Pei Z; The Affiliated Wuxi No. 2 People's Hospital of Nanjing Medical University, Wuxi, China.
Zhu J; School of Pharmaceutical Sciences, Jiangnan University, Wuxi, China.; Pokaż więcej
Źródło:: Chemical biology & drug design [Chem Biol Drug Des] 2022 Mar; Vol. 99 (3), pp. 373-381. Date of Electronic Publication: 2021 Dec 10.
Typ publikacji:: Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:: Molecular Docking Simulation*
Enzyme Inhibitors/*chemistry
Fatty Acids, Monounsaturated/*chemistry
Binding Sites ; Enzyme Inhibitors/metabolism ; Fatty Acids, Monounsaturated/metabolism ; Molecular Dynamics Simulation ; Protein Binding ; Serine C-Palmitoyltransferase/antagonists & inhibitors ; Serine C-Palmitoyltransferase/metabolism ; Thermodynamics

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Skocz do pozycji: 15.

Tytuł:: Rapid Screening of Lipase Inhibitors from Ophiopogonis Radix Using High-Performance Thin Layer Chromatography by Two Step Gradient Elution Combined with Bioautographic Method.
Autorzy:: Hua X; Institute of Chinese Medical Sciences, State Key Laboratory of Quality Research in Chinese Medicine, University of Macau, Macao 999078, China.
Hong HJ; Institute of Chinese Medical Sciences, State Key Laboratory of Quality Research in Chinese Medicine, University of Macau, Macao 999078, China.
Zhang DY; Institute of Chinese Medical Sciences, State Key Laboratory of Quality Research in Chinese Medicine, University of Macau, Macao 999078, China.
Liu Q; Institute of Chinese Medical Sciences, State Key Laboratory of Quality Research in Chinese Medicine, University of Macau, Macao 999078, China.
Leong F; Institute of Chinese Medical Sciences, State Key Laboratory of Quality Research in Chinese Medicine, University of Macau, Macao 999078, China.
Yang Q; Institute of Chinese Medical Sciences, State Key Laboratory of Quality Research in Chinese Medicine, University of Macau, Macao 999078, China.
Hu YJ; Institute of Chinese Medical Sciences, State Key Laboratory of Quality Research in Chinese Medicine, University of Macau, Macao 999078, China.
Chen XJ; Institute of Chinese Medical Sciences, State Key Laboratory of Quality Research in Chinese Medicine, University of Macau, Macao 999078, China.; Zhuhai UM Science & Technology Research Institute, Zhuhai 519031, China.; Pokaż więcej
Źródło:: Molecules (Basel, Switzerland) [Molecules] 2022 Feb 09; Vol. 27 (4). Date of Electronic Publication: 2022 Feb 09.
Typ publikacji:: Journal Article
MeSH Terms:: Enzyme Inhibitors*/chemistry
Enzyme Inhibitors*/isolation & purification
Lipase*/antagonists & inhibitors
Lipase*/chemistry
Molecular Docking Simulation*
Ophiopogon/*chemistry
Animals ; Chromatography, Thin Layer ; Swine

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Skocz do pozycji: 16.

Tytuł:: Kinetic and Molecular Docking Studies to Determine the Effect of Inhibitors on the Activity and Structure of Fused G6PD::6PGL Protein from Trichomonas vaginalis .
Autorzy:: Martínez-Rosas V; Laboratorio de Bioquímica Genética, Instituto Nacional de Pediatría, Secretaría de Salud, Mexico City 04530, Mexico.; Programa de Posgrado en Biomedicina y Biotecnología Molecular, Escuela Nacional de Ciencias Biológicas, Instituto Politécnico Nacional, Mexico City 11340, Mexico.
Hernández-Ochoa B; Laboratorio de Inmunoquímica, Hospital Infantil de México Federico Gómez, Secretaría de Salud, Mexico City 06720, Mexico.
Navarrete-Vázquez G; Facultad de Farmacia, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001, Chamilpa, Cuernavaca 62209, Morelos, Mexico.
Martínez-Conde C; Facultad de Farmacia, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001, Chamilpa, Cuernavaca 62209, Morelos, Mexico.
Gómez-Chávez F; Laboratorio de Enfermedades Osteoarticulares e Inmunológicas, Sección de Estudios de Posgrado e Investigación, Escuela Nacional de Medicina y Homeopatía, Instituto Politécnico Nacional, Mexico City 07320, Mexico.
Morales-Luna L; Laboratorio de Bioquímica Genética, Instituto Nacional de Pediatría, Secretaría de Salud, Mexico City 04530, Mexico.; Posgrado en Ciencias Biológicas, Universidad Nacional Autónoma de México, Mexico City 04510, Mexico.
González-Valdez A; Departamento de Biología Molecular y Biotecnología, Instituto de Investigaciones Biomédicas, Universidad Nacional Autónoma de México, Mexico City 04510, Mexico.
Arreguin-Espinosa R; Departamento de Química de Biomacromoléculas, Instituto de Química, Universidad Nacional Autónoma de México, Mexico City 04510, Mexico.
Enríquez-Flores S; Laboratorio de Biomoléculas y Salud Infantil, Instituto Nacional de Pediatría, Secretaría de Salud, Mexico City 04530, Mexico.
Pérez de la Cruz V; Neurobiochemistry and Behavior Laboratory, National Institute of Neurology and Neurosurgery 'Manuel Velasco Suárez', Mexico City 14269, Mexico.
Aguayo-Ortiz R; Departamento de Farmacia, Facultad de Química, Universidad Nacional Autónoma de México, Mexico City 04510, Mexico.
Wong-Baeza C; Laboratorio de Biomembranas, Departamento de Bioquímica, Escuela Nacional de Ciencias Biológicas, Instituto Politécnico Nacional, Mexico City 11340, Mexico.
Baeza-Ramírez I; Laboratorio de Biomembranas, Departamento de Bioquímica, Escuela Nacional de Ciencias Biológicas, Instituto Politécnico Nacional, Mexico City 11340, Mexico.
Gómez-Manzo S; Laboratorio de Bioquímica Genética, Instituto Nacional de Pediatría, Secretaría de Salud, Mexico City 04530, Mexico.; Pokaż więcej
Źródło:: Molecules (Basel, Switzerland) [Molecules] 2022 Feb 09; Vol. 27 (4). Date of Electronic Publication: 2022 Feb 09.
Typ publikacji:: Journal Article
MeSH Terms:: Bacterial Proteins*/antagonists & inhibitors
Bacterial Proteins*/chemistry
Glucosephosphate Dehydrogenase*/antagonists & inhibitors
Glucosephosphate Dehydrogenase*/chemistry
Molecular Docking Simulation*
Anti-Bacterial Agents/*chemistry
Enzyme Inhibitors/*chemistry
Trichomonas vaginalis/*enzymology
Kinetics

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Skocz do pozycji: 17.

Tytuł:: Expression, Purification, and Comparative Inhibition of Helicobacter pylori Urease by Regio-Selectively Alkylated Benzimidazole 2-Thione Derivatives.
Autorzy:: Mohammed SO; Medicinal and Aromatic Plants and Traditional Medicine Research Institute, National Center for Research, Khartoum 11111, Sudan.
El Ashry SHE; Chemistry Department, Faculty of Science, Alexandria University, Alexandria 21568, Egypt.
Khalid A; Medicinal and Aromatic Plants and Traditional Medicine Research Institute, National Center for Research, Khartoum 11111, Sudan.; Substance Abuse and Toxicology Research Center, Jazan University, Jazan 45142, Saudi Arabia.
Amer MR; Chemistry Department, Faculty of Science, Alexandria University, Alexandria 21568, Egypt.
Metwaly AM; Pharmacognosy and Medicinal Plants Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt.; Biopharmaceutical Products Research Department, Genetic Engineering and Biotechnology Research Institute, City of Scientific Research and Technological Applications (SRTA-City), Alexandria 21934, Egypt.
Eissa IH; Pharmaceutical Medicinal Chemistry & Drug Design Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt.
Elkaeed EB; Department of Pharmaceutical Sciences, College of Pharmacy, AlMaarefa University, Ad Diriyah, Riyadh 13713, Saudi Arabia.
Elshobaky A; Botany Department, Faculty of Science, Mansoura University, Mansoura 35516, Egypt.
Hafez EE; Plant Protection and Biomolecular Diagnosis Department, City of Scientific Research and Technological Applications, ARADI, Alexandria 21934, Egypt.; Pokaż więcej
Źródło:: Molecules (Basel, Switzerland) [Molecules] 2022 Jan 27; Vol. 27 (3). Date of Electronic Publication: 2022 Jan 27.
Typ publikacji:: Comparative Study; Journal Article
MeSH Terms:: Molecular Docking Simulation*
Urease*/antagonists & inhibitors
Urease*/biosynthesis
Urease*/genetics
Urease*/isolation & purification
Benzimidazoles/*chemistry
Enzyme Inhibitors/*chemistry
Helicobacter pylori/*enzymology
Bacterial Proteins/antagonists & inhibitors ; Bacterial Proteins/biosynthesis ; Bacterial Proteins/genetics ; Bacterial Proteins/isolation & purification ; Helicobacter pylori/genetics

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Skocz do pozycji: 18.

Tytuł:: Molecular Docking, Synthesis, and Tyrosinase Inhibition Activity of Acetophenone Amide: Potential Inhibitor of Melanogenesis.
Autorzy:: Nazir Y; Department of Chemistry, Allama Iqbal Open University, Islamabad, Pakistan.; Faculty of Sciences, Department of Chemistry, University of Sialkot, Sialkot, Pakistan.
Rafique H; Department of Chemistry, University of Gujrat, Gujrat 50700, Pakistan.
Roshan S; Department of Zoology, University of Gujrat, Gujrat 50700, Pakistan.
Shamas S; Department of Zoology, University of Gujrat, Gujrat 50700, Pakistan.
Ashraf Z; Department of Chemistry, Allama Iqbal Open University, Islamabad, Pakistan.
Rafiq M; Department of Physiology and Biochemistry, Faculty of Bio-Sciences, Cholistan University of Veterinary and Animal Sciences, Bahawalpur 63100, Pakistan.
Tahir T; Institute of Biochemistry, Biotechnology and Bioinformatics, Faculty of Science, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan.
Qureshi ZU; Department of Pharmacy, SBK Women University, Quetta, Pakistan.
Aslam A; Institute of Molecular Biology and Biotechnology (IMBB), University of Lahore, Punjab, Pakistan.
Asad MHHB; Department of Pharmacy, COMSATS University Islamabad, Abbottabad Campus, 22060, Pakistan.; Pokaż więcej
Źródło:: BioMed research international [Biomed Res Int] 2022 Jan 11; Vol. 2022, pp. 1040693. Date of Electronic Publication: 2022 Jan 11 (Print Publication: 2022).
Typ publikacji:: Journal Article
MeSH Terms:: Fungal Proteins*/antagonists & inhibitors
Fungal Proteins*/chemistry
Molecular Docking Simulation*
Monophenol Monooxygenase*/antagonists & inhibitors
Monophenol Monooxygenase*/chemistry
Agaricales/*enzymology
Enzyme Inhibitors/*chemistry

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Skocz do pozycji: 19.

Tytuł:: In Vitro, In Vivo, and In Silico Analyses of Molecular Anti-Pigmentation Mechanisms of Selected Thai Rejuvenating Remedy and Bioactive Metabolites.
Autorzy:: Dej-Adisai S; Department of Pharmacognosy and Pharmaceutical Botany, Faculty of Pharmaceutical Sciences, Prince of Songkla University, Hat Yai 90112, Songkhla, Thailand.
Koyphokaisawan N; Department of Pharmacognosy and Pharmaceutical Botany, Faculty of Pharmaceutical Sciences, Prince of Songkla University, Hat Yai 90112, Songkhla, Thailand.
Wattanapiromsakul C; Department of Pharmacognosy and Pharmaceutical Botany, Faculty of Pharmaceutical Sciences, Prince of Songkla University, Hat Yai 90112, Songkhla, Thailand.
Nuankaew W; Department of Oriental Medicinal Biotechnology, Graduate School of Biotechnology, College of Life Sciences, Kyung Hee University, Yongin-si 17104, Gyeonggi-do, Republic of Korea.
Kang TH; Department of Oriental Medicinal Biotechnology, Graduate School of Biotechnology, College of Life Sciences, Kyung Hee University, Yongin-si 17104, Gyeonggi-do, Republic of Korea.
Pitakbut T; Pharmaceutical Biology, Department of Biology, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), 91058 Erlangen, Germany.; Pokaż więcej
Źródło:: Molecules (Basel, Switzerland) [Molecules] 2023 Jan 18; Vol. 28 (3). Date of Electronic Publication: 2023 Jan 18.
Typ publikacji:: Journal Article
MeSH Terms:: Enzyme Inhibitors*
Monophenol Monooxygenase*/metabolism
Animals ; Melanins/metabolism ; Molecular Docking Simulation ; Zebrafish/metabolism

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Skocz do pozycji: 20.

Tytuł:: Chemical Synthesis and Biological Evaluation of 3-Substituted Estrone/Estradiol Derivatives as 17β-Hydroxysteroid Dehydrogenase Type 1 Inhibitors Acting via a Reverse Orientation of the Natural Substrate Estrone.
Autorzy:: Ngueta AD; Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec Research Center-Université Laval, Quebec, QC G1V 4G2, Canada.; Department of Molecular Medicine, Faculty of Medicine, Université Laval, Quebec, QC G1V 0A6, Canada.
Roy J; Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec Research Center-Université Laval, Quebec, QC G1V 4G2, Canada.
Maltais R; Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec Research Center-Université Laval, Quebec, QC G1V 4G2, Canada.
Poirier D; Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec Research Center-Université Laval, Quebec, QC G1V 4G2, Canada.; Department of Molecular Medicine, Faculty of Medicine, Université Laval, Quebec, QC G1V 0A6, Canada.; Pokaż więcej
Źródło:: Molecules (Basel, Switzerland) [Molecules] 2023 Jan 07; Vol. 28 (2). Date of Electronic Publication: 2023 Jan 07.
Typ publikacji:: Journal Article
MeSH Terms:: 17-Hydroxysteroid Dehydrogenases*/antagonists & inhibitors
Breast Neoplasms*
Endometriosis*
Enzyme Inhibitors*/chemistry
Female ; Humans ; Cell Line, Tumor ; Estradiol ; Estrogens ; Estrone/pharmacology ; Molecular Docking Simulation

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