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Tytuł :
Recent Breakthroughs in Various Antimicrobial Resistance Induced Quorum Sensing Biosynthetic Pathway Mediated Targets and Design of their Inhibitors.
Autorzy :
Kumar M; Department of Pharmaceutical Chemistry, Global Institute of Pharmaceutical Education and Research, Affiliated to Uttarakhand Technical University, Kashipur 244713, India.
Saxena M; Department of Chemistry, Amity University, Lucknow, India.
Saxena AK; Division of Medicinal and Process Chemistry, CSIR-Central Drug Research Institute, Lucknow 226031, India.
Nandi S; Department of Pharmaceutical Chemistry, Global Institute of Pharmaceutical Education and Research, Affiliated to Uttarakhand Technical University, Kashipur 244713, India.
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Źródło :
Combinatorial chemistry & high throughput screening [Comb Chem High Throughput Screen] 2020; Vol. 23 (6), pp. 458-476.
Typ publikacji :
Journal Article; Review
MeSH Terms :
Drug Design*
Anti-Bacterial Agents/*pharmacology
Drug Resistance, Bacterial/*drug effects
Enzyme Inhibitors/*pharmacology
Enzymes/*metabolism
Quorum Sensing/*drug effects
Anti-Bacterial Agents/chemistry ; Enzyme Inhibitors/chemical synthesis ; Enzyme Inhibitors/chemistry ; Humans
Czasopismo naukowe
Tytuł :
Combinatorial design and virtual screening of potent anti-tubercular fluoroquinolone and isothiazoloquinolone compounds utilizing QSAR and pharmacophore modelling.
Autorzy :
Nandi S; a Division of Pharmaceutical Chemistry , Global Institute of Pharmaceutical Education and Research, Affiliated to Uttarakhand Technical University , Kashipur , India.
Ahmed S; a Division of Pharmaceutical Chemistry , Global Institute of Pharmaceutical Education and Research, Affiliated to Uttarakhand Technical University , Kashipur , India.
Saxena AK; b Division of Medicinal and Process Chemistry , CSIR-Central Drug Research Institute , Lucknow , India.
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Źródło :
SAR and QSAR in environmental research [SAR QSAR Environ Res] 2018 Feb; Vol. 29 (2), pp. 151-170.
Typ publikacji :
Journal Article
MeSH Terms :
Drug Design*
Models, Molecular*
Quantitative Structure-Activity Relationship*
Mycobacterium fortuitum/*drug effects
Mycobacterium smegmatis/*drug effects
Quinolones/*chemistry
Thiazoles/*chemistry
Antitubercular Agents/chemistry ; Antitubercular Agents/pharmacology ; Antitubercular Agents/therapeutic use ; Fluoroquinolones/chemistry ; Fluoroquinolones/pharmacology ; Quinolones/pharmacology ; Thiazoles/pharmacology ; Tuberculosis/drug therapy
Czasopismo naukowe
Tytuł :
Identification of Therapeutically Active Molecules against Anthrax through Structure and Ligand based Drug Design.
Autorzy :
Nandi S; Department of Pharmaceutical Chemistry, Global Institute of Pharmaceutical Education and Research, Affiliated to Uttarakhand Technical University, Kashipur-244713, India.
Saxena M; Department of Chemistry, Amity University, Lucknow, India.
Saxena AK; Division of Medicinal and Process Chemistry, CSIR-Central Drug Research Institute, Lucknow-226031, India.
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Źródło :
Current topics in medicinal chemistry [Curr Top Med Chem] 2018; Vol. 18 (27), pp. 2294-2312.
Typ publikacji :
Journal Article; Review
MeSH Terms :
Drug Design*
Anthrax/*drug therapy
Bacterial Toxins/*antagonists & inhibitors
Small Molecule Libraries/*pharmacology
Animals ; Antigens, Bacterial/metabolism ; Bacterial Toxins/metabolism ; Dose-Response Relationship, Drug ; Humans ; Ligands ; Molecular Structure ; Small Molecule Libraries/chemistry ; Structure-Activity Relationship
Czasopismo naukowe
Tytuł :
Triazole tethered isatin-coumarin based molecular hybrids as novel antitubulin agents: Design, synthesis, biological investigation and docking studies.
Autorzy :
Singh H; Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab 143005, India.
Singh JV; Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab 143005, India.
Gupta MK; Lloyd Institute of Management and Technology, Greater Noida, UP, India.
Saxena AK; Indian Institute of Integrative Medicine, Jammu, India.
Sharma S; Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab 143005, India. Electronic address: .
Nepali K; Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab 143005, India.
Bedi PMS; Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab 143005, India.
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Źródło :
Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2017 Sep 01; Vol. 27 (17), pp. 3974-3979. Date of Electronic Publication: 2017 Jul 29.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Design*
Antineoplastic Agents/*pharmacology
Coumarins/*pharmacology
Isatin/*pharmacology
Triazoles/*pharmacology
Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/chemistry ; Cell Line, Tumor ; Cell Proliferation/drug effects ; Coumarins/chemistry ; Dose-Response Relationship, Drug ; Drug Screening Assays, Antitumor ; Humans ; Isatin/chemistry ; Molecular Docking Simulation ; Molecular Structure ; Structure-Activity Relationship ; Triazoles/chemistry
Czasopismo naukowe
Tytuł :
Design, Synthesis, and Biological Evaluation of Novel 1,2,4-Trioxanes as Potential Antimalarial Agents.
Autorzy :
Gupta AK; Medicinal and Process Chemistry Division, CSIR-Central Drug Research Institute, Lucknow, India.
Varshney K; Medicinal and Process Chemistry Division, CSIR-Central Drug Research Institute, Lucknow, India.
Kumar V; In Vitro Toxicology Laboratory, CSIR-Indian Institute of Toxicology Research, Lucknow, India.
Srivastava K; Division of Parasitology, CSIR-Central Drug Research Institute, Lucknow, India.
Pant AB; In Vitro Toxicology Laboratory, CSIR-Indian Institute of Toxicology Research, Lucknow, India.
Puri SK; Division of Parasitology, CSIR-Central Drug Research Institute, Lucknow, India.
Saxena AK; Medicinal and Process Chemistry Division, CSIR-Central Drug Research Institute, Lucknow, India.
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Źródło :
Archiv der Pharmazie [Arch Pharm (Weinheim)] 2017 Apr; Vol. 350 (3-4). Date of Electronic Publication: 2017 Feb 16.
Typ publikacji :
Journal Article
MeSH Terms :
Drug Design*
Antimalarials/*pharmacology
Heterocyclic Compounds/*pharmacology
Plasmodium falciparum/*drug effects
Antimalarials/chemical synthesis ; Antimalarials/chemistry ; Dose-Response Relationship, Drug ; Heterocyclic Compounds/chemical synthesis ; Heterocyclic Compounds/chemistry ; Molecular Structure ; Parasitic Sensitivity Tests ; Structure-Activity Relationship
Czasopismo naukowe
Tytuł :
Design, synthesis and evaluation of benzofuran-acetamide scaffold as potential anticonvulsant agent.
Autorzy :
Shakya AK
Kamal M
Balaramnavar VM
Bardaweel SK
Naik RR
Saxena AK
Siddiqui HH
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Źródło :
Acta pharmaceutica (Zagreb, Croatia) [Acta Pharm] 2016 Sep 01; Vol. 66 (3), pp. 353-72.
Typ publikacji :
Journal Article
MeSH Terms :
Drug Design*
Models, Molecular*
4-Aminobutyrate Transaminase/*metabolism
Anticonvulsants/*therapeutic use
Benzofurans/*therapeutic use
Seizures/*prevention & control
4-Aminobutyrate Transaminase/chemistry ; Acetamides/adverse effects ; Acetamides/chemistry ; Acetamides/metabolism ; Acetamides/therapeutic use ; Animals ; Anticonvulsants/adverse effects ; Anticonvulsants/chemistry ; Anticonvulsants/metabolism ; Benzofurans/adverse effects ; Benzofurans/chemistry ; Benzofurans/metabolism ; Binding Sites ; Cerebellum/drug effects ; Cerebellum/metabolism ; Dose-Response Relationship, Drug ; GABA Agonists/adverse effects ; GABA Agonists/chemistry ; GABA Agonists/metabolism ; GABA Agonists/therapeutic use ; Glycine/adverse effects ; Glycine/analogs & derivatives ; Glycine/chemistry ; Glycine/metabolism ; Glycine/therapeutic use ; Lethal Dose 50 ; Male ; Medulla Oblongata/drug effects ; Medulla Oblongata/metabolism ; Mesencephalon/drug effects ; Mesencephalon/metabolism ; Mice ; Molecular Docking Simulation ; Neurons/drug effects ; Neurons/metabolism ; Neurotoxicity Syndromes/etiology ; Neurotoxicity Syndromes/metabolism ; Rats, Wistar ; Sus scrofa ; gamma-Aminobutyric Acid/chemistry ; gamma-Aminobutyric Acid/metabolism
Czasopismo naukowe
Tytuł :
Triazole linked mono carbonyl curcumin-isatin bifunctional hybrids as novel anti tubulin agents: Design, synthesis, biological evaluation and molecular modeling studies.
Autorzy :
Sharma S; Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab 143005, India.
Gupta MK; Lloyd Institute of Management and Technology, Greater Noida, UP, India.
Saxena AK; Indian Institute of Integrative Medicine, Jammu, India.
Bedi PM; Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab 143005, India.
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Źródło :
Bioorganic & medicinal chemistry [Bioorg Med Chem] 2015 Nov 15; Vol. 23 (22), pp. 7165-80. Date of Electronic Publication: 2015 Oct 23.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Design*
Curcumin/*chemistry
Isatin/*chemistry
Triazoles/*chemistry
Tubulin Modulators/*chemical synthesis
Binding Sites ; Cell Line, Tumor ; Cell Survival/drug effects ; Drug Screening Assays, Antitumor ; Humans ; Microscopy, Fluorescence ; Models, Molecular ; Molecular Docking Simulation ; Protein Structure, Tertiary ; Structure-Activity Relationship ; Tubulin/chemistry ; Tubulin/metabolism ; Tubulin Modulators/chemistry ; Tubulin Modulators/pharmacology
Czasopismo naukowe
Tytuł :
Designing, synthesis of selective and high-affinity chalcone-benzothiazole hybrids as Brugia malayi thymidylate kinase inhibitors: In vitro validation and docking studies.
Autorzy :
Sashidhara KV; Medicinal and Process Chemistry Division, BS-10/1, Sector 10, Jankipuram extension, Sitapur Road, Lucknow 226031, India. Electronic address: .
Avula SR; Medicinal and Process Chemistry Division, BS-10/1, Sector 10, Jankipuram extension, Sitapur Road, Lucknow 226031, India.
Doharey PK; Biochemistry Division, BS-10/1, Sector 10, Jankipuram extension, Sitapur Road, Lucknow 226031, India.
Singh LR; Medicinal and Process Chemistry Division, BS-10/1, Sector 10, Jankipuram extension, Sitapur Road, Lucknow 226031, India.
Balaramnavar VM; Medicinal and Process Chemistry Division, BS-10/1, Sector 10, Jankipuram extension, Sitapur Road, Lucknow 226031, India.
Gupta J; Parasitology Divion, CSIR-Central Drug Research Institute, BS-10/1, Sector 10, Jankipuram extension, Sitapur Road, Lucknow 226031, India.
Misra-Bhattacharya S; Parasitology Divion, CSIR-Central Drug Research Institute, BS-10/1, Sector 10, Jankipuram extension, Sitapur Road, Lucknow 226031, India.
Rathaur S; Department of Biochemistry, Banaras Hindu University, Varanasi 221005, India.
Saxena AK; Medicinal and Process Chemistry Division, BS-10/1, Sector 10, Jankipuram extension, Sitapur Road, Lucknow 226031, India.
Saxena JK; Biochemistry Division, BS-10/1, Sector 10, Jankipuram extension, Sitapur Road, Lucknow 226031, India.
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Źródło :
European journal of medicinal chemistry [Eur J Med Chem] 2015 Oct 20; Vol. 103, pp. 418-28. Date of Electronic Publication: 2015 Sep 08.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Design*
Molecular Docking Simulation*
Benzothiazoles/*pharmacology
Brugia malayi/*enzymology
Chalcone/*pharmacology
Nucleoside-Phosphate Kinase/*antagonists & inhibitors
Protein Kinase Inhibitors/*chemical synthesis
Protein Kinase Inhibitors/*pharmacology
Animals ; Benzothiazoles/chemical synthesis ; Benzothiazoles/chemistry ; Brugia malayi/drug effects ; Chalcone/chemical synthesis ; Chalcone/chemistry ; Dose-Response Relationship, Drug ; Filariasis/drug therapy ; Filariasis/parasitology ; Molecular Structure ; Nucleoside-Phosphate Kinase/metabolism ; Parasitic Sensitivity Tests ; Protein Kinase Inhibitors/chemistry ; Reproducibility of Results ; Structure-Activity Relationship
Czasopismo naukowe
Tytuł :
Quinazoline based small molecule exerts potent tumour suppressive properties by inhibiting PI3K/Akt/FoxO3a signalling in experimental colon cancer.
Autorzy :
Qazi AK; Cancer Pharmacology Division, CSIR-Indian Institute of Integrative Medicine, Jammu 180001, India.
Hussain A; Cancer Pharmacology Division, CSIR-Indian Institute of Integrative Medicine, Jammu 180001, India.
Khan S; Plant Biotechnology Division, CSIR-Indian Institute of Integrative Medicine, Jammu 180001, India.
Aga MA; Natural Product Microbes Division, CSIR-Indian Institute of Integrative Medicine, Jammu 180001, India.
Behl A; Cancer Pharmacology Division, CSIR-Indian Institute of Integrative Medicine, Jammu 180001, India.
Ali S; Department of Biochemistry, Jamia Hamdard (Hamdard University), New Delhi 110062, India.
Singh SK; Cancer Pharmacology Division, CSIR-Indian Institute of Integrative Medicine, Jammu 180001, India.
Taneja SC; Natural Product Microbes Division, CSIR-Indian Institute of Integrative Medicine, Jammu 180001, India.
Shah BA; Natural Product Microbes Division, CSIR-Indian Institute of Integrative Medicine, Jammu 180001, India.
Saxena AK; Cancer Pharmacology Division, CSIR-Indian Institute of Integrative Medicine, Jammu 180001, India.
Mondhe DM; Cancer Pharmacology Division, CSIR-Indian Institute of Integrative Medicine, Jammu 180001, India.
Hamid A; Cancer Pharmacology Division, CSIR-Indian Institute of Integrative Medicine, Jammu 180001, India. Electronic address: .
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Źródło :
Cancer letters [Cancer Lett] 2015 Apr 01; Vol. 359 (1), pp. 47-56. Date of Electronic Publication: 2014 Dec 29.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Design*
Molecular Targeted Therapy*
Phosphoinositide-3 Kinase Inhibitors*
Antineoplastic Agents/*pharmacology
Colonic Neoplasms/*drug therapy
Forkhead Transcription Factors/*antagonists & inhibitors
Protein Kinase Inhibitors/*pharmacology
Proto-Oncogene Proteins c-akt/*antagonists & inhibitors
Quinazolines/*pharmacology
Signal Transduction/*drug effects
Animals ; Apoptosis/drug effects ; Carcinoma, Ehrlich Tumor/drug therapy ; Carcinoma, Ehrlich Tumor/enzymology ; Carcinoma, Ehrlich Tumor/pathology ; Cell Proliferation/drug effects ; Class I Phosphatidylinositol 3-Kinases ; Class Ia Phosphatidylinositol 3-Kinase/metabolism ; Colonic Neoplasms/enzymology ; Colonic Neoplasms/genetics ; Colonic Neoplasms/pathology ; Dose-Response Relationship, Drug ; Female ; Forkhead Box Protein O3 ; Forkhead Transcription Factors/metabolism ; G1 Phase Cell Cycle Checkpoints/drug effects ; HCT116 Cells ; Humans ; Male ; Membrane Potential, Mitochondrial/drug effects ; Mice ; Phosphatidylinositol 3-Kinase/genetics ; Phosphatidylinositol 3-Kinase/metabolism ; Phosphatidylinositol 3-Kinases/metabolism ; Proto-Oncogene Proteins c-akt/metabolism ; RNA Interference ; Time Factors ; Transfection ; Tumor Burden
Czasopismo naukowe
Tytuł :
β-Ionone derived apoptosis inducing endoperoxides; Discovery of potent leads for anticancer agents.
Autorzy :
Sharma V; Bio-Organic and Photochemistry Laboratory, Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar 143 005, Punjab, India.
Chaudhry A; Department of Botanical and Environment Sciences, Guru Nanak Dev University, Amritsar 143 005, Punjab, India.
Chashoo G; Indian Institute of Integrative Medicine, Cancer Pharmacology Division, Jammu 180 001, J & K, India.
Arora R; Department of Botanical and Environment Sciences, Guru Nanak Dev University, Amritsar 143 005, Punjab, India.
Arora S; Department of Botanical and Environment Sciences, Guru Nanak Dev University, Amritsar 143 005, Punjab, India.
Saxena AK; Indian Institute of Integrative Medicine, Cancer Pharmacology Division, Jammu 180 001, J & K, India.
Ishar MP; Bio-Organic and Photochemistry Laboratory, Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar 143 005, Punjab, India. Electronic address: .
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Źródło :
European journal of medicinal chemistry [Eur J Med Chem] 2014 Nov 24; Vol. 87, pp. 228-36. Date of Electronic Publication: 2014 Sep 16.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Design*
Antineoplastic Agents/*chemistry
Antineoplastic Agents/*pharmacology
Apoptosis/*drug effects
Norisoprenoids/*chemistry
Norisoprenoids/*pharmacology
Peroxides/*chemistry
Animals ; Antineoplastic Agents/toxicity ; CHO Cells ; Caspase 3/metabolism ; Caspase 9/metabolism ; Cell Line, Tumor ; Cell Survival/drug effects ; Cricetinae ; Cricetulus ; DNA/metabolism ; Humans ; Intracellular Space/drug effects ; Intracellular Space/metabolism ; L-Lactate Dehydrogenase/metabolism ; Membrane Potential, Mitochondrial/drug effects ; Norisoprenoids/toxicity ; Reactive Oxygen Species/metabolism
Czasopismo naukowe
Tytuł :
Chalcone based azacarboline analogues as novel antitubulin agents: design, synthesis, biological evaluation and molecular modelling studies.
Autorzy :
Sharma S; Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab 143005, India.
Kaur C; Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab 143005, India.
Budhiraja A; Faculty of Pharmaceutical Sciences, Shoolini University, Solan, Himachal Pradesh, India.
Nepali K; Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab 143005, India. Electronic address: .
Gupta MK; Molecular Modeling and Pharmacoinformatics Lab, Department of Pharmaceutical Chemistry, ISF College of Pharmacy, Moga, Punjab 143005, India; Lloyd Institute of Management and Technology, Greater Noida, UP, India.
Saxena AK; Indian Institute of Integrative Medicine, Jammu, India.
Bedi PM; Department of Pharmaceutical Sciences, Guru Nanak Dev University, Amritsar, Punjab 143005, India.
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Źródło :
European journal of medicinal chemistry [Eur J Med Chem] 2014 Oct 06; Vol. 85, pp. 648-60. Date of Electronic Publication: 2014 Aug 06.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Design*
Models, Molecular*
Carbolines/*chemical synthesis
Carbolines/*pharmacology
Chalcone/*chemistry
Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/chemistry ; Antineoplastic Agents/pharmacology ; Carbolines/chemistry ; Cell Line, Tumor ; Chemistry Techniques, Synthetic ; Humans ; Molecular Conformation ; Structure-Activity Relationship ; Tubulin Modulators/chemical synthesis ; Tubulin Modulators/chemistry ; Tubulin Modulators/pharmacology
Czasopismo naukowe
Tytuł :
Design and synthesis of novel 1,2,3-triazole derivatives of coronopilin as anti-cancer compounds.
Autorzy :
Khazir J; Medicinal Chemistry Division, CSIR - Indian Institute of Integrative Medicine, Jammu 180001, India.
Hyder I; Natural Products Chemistry Division, CSIR - Indian Institute of Chemical Technology, Hyderabad 500007, India.
Gayatri JL; Natural Products Chemistry Division, CSIR - Indian Institute of Chemical Technology, Hyderabad 500007, India.
Prasad Yandrati L; Natural Products Chemistry Division, CSIR - Indian Institute of Chemical Technology, Hyderabad 500007, India.
Nalla N; Natural Products Chemistry Division, CSIR - Indian Institute of Chemical Technology, Hyderabad 500007, India.
Chasoo G; Medicinal Chemistry Division, CSIR - Indian Institute of Integrative Medicine, Jammu 180001, India.
Mahajan A; Medicinal Chemistry Division, CSIR - Indian Institute of Integrative Medicine, Jammu 180001, India.
Saxena AK; Medicinal Chemistry Division, CSIR - Indian Institute of Integrative Medicine, Jammu 180001, India.
Alam MS; Department of Chemistry, Jamia Hamdard University, New Delhi 110062, India.
Qazi GN; Department of Chemistry, Jamia Hamdard University, New Delhi 110062, India.
Sampath Kumar HM; Natural Products Chemistry Division, CSIR - Indian Institute of Chemical Technology, Hyderabad 500007, India. Electronic address: .
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Źródło :
European journal of medicinal chemistry [Eur J Med Chem] 2014 Jul 23; Vol. 82, pp. 255-62. Date of Electronic Publication: 2014 May 24.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Design*
Antineoplastic Agents/*pharmacology
Azulenes/*pharmacology
Sesquiterpenes/*pharmacology
Triazoles/*pharmacology
Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/chemistry ; Azulenes/chemical synthesis ; Azulenes/chemistry ; Cell Line, Tumor ; Cell Proliferation/drug effects ; Dose-Response Relationship, Drug ; Drug Screening Assays, Antitumor ; HeLa Cells ; Humans ; MCF-7 Cells ; Molecular Structure ; Sesquiterpenes/chemical synthesis ; Sesquiterpenes/chemistry ; Structure-Activity Relationship ; Triazoles/chemical synthesis ; Triazoles/chemistry
Czasopismo naukowe
Tytuł :
Identification of novel amino acid derived CCK-2R antagonists as potential antiulcer agent: homology modeling, design, synthesis, and pharmacology.
Autorzy :
Gupta AK; Medicinal and Process Chemistry Division, CSIR-Central Drug Research Institute, Lucknow, 226001, India.
Varshney K
Singh N
Mishra V
Saxena M
Palit G
Saxena AK
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Źródło :
Journal of chemical information and modeling [J Chem Inf Model] 2013 Jan 28; Vol. 53 (1), pp. 176-87. Date of Electronic Publication: 2013 Jan 04.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Design*
Molecular Docking Simulation*
Sequence Homology, Amino Acid*
Amino Acids/*pharmacology
Receptor, Cholecystokinin B/*antagonists & inhibitors
Receptor, Cholecystokinin B/*metabolism
Stomach Ulcer/*drug therapy
Amino Acid Sequence ; Amino Acids/chemical synthesis ; Amino Acids/metabolism ; Amino Acids/therapeutic use ; Animals ; Cattle ; Chemistry Techniques, Synthetic ; Humans ; Molecular Sequence Data ; Protein Conformation ; Rats ; Receptor, Cholecystokinin B/chemistry
Czasopismo naukowe
Tytuł :
Toward the identification of a reliable 3D QSAR pharmacophore model for the CCK2 receptor antagonism.
Autorzy :
Gupta AK; Medicinal and Process Chemistry Division, C.S.I.R.-Central Drug Research Institute, Lucknow 226001, India.
Varshney K
Saxena AK
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Źródło :
Journal of chemical information and modeling [J Chem Inf Model] 2012 May 25; Vol. 52 (5), pp. 1376-90. Date of Electronic Publication: 2012 May 04.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Design*
Models, Molecular*
Receptor, Cholecystokinin B/*antagonists & inhibitors
Benzazepines/chemistry ; Benzazepines/pharmacology ; Humans ; Protein Binding/drug effects ; Quantitative Structure-Activity Relationship ; Sulfonamides/chemistry ; Sulfonamides/pharmacology
Czasopismo naukowe
Tytuł :
Fragment-based design, docking, synthesis, biological evaluation and structure-activity relationships of 2-benzo/benzisothiazolimino-5-aryliden-4-thiazolidinones as cycloxygenase/lipoxygenase inhibitors.
Autorzy :
Eleftheriou P; Department of Medical Laboratory Studies, School of Health and Medical Care, Alexander Technological Education Institute of Thessaloniki, Thessaloniki 57400, Greece.
Geronikaki A
Hadjipavlou-Litina D
Vicini P
Filz O
Filimonov D
Poroikov V
Chaudhaery SS
Roy KK
Saxena AK
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Źródło :
European journal of medicinal chemistry [Eur J Med Chem] 2012 Jan; Vol. 47 (1), pp. 111-24. Date of Electronic Publication: 2011 Oct 25.
Typ publikacji :
Journal Article
MeSH Terms :
Drug Design*
Cyclooxygenase 1/*metabolism
Cyclooxygenase 2/*metabolism
Lipoxygenase/*metabolism
Thiazolidines/*chemistry
Thiazolidines/*pharmacology
Animals ; Anti-Inflammatory Agents/chemical synthesis ; Anti-Inflammatory Agents/chemistry ; Anti-Inflammatory Agents/metabolism ; Anti-Inflammatory Agents/pharmacology ; Catalytic Domain ; Cyclooxygenase 1/chemistry ; Cyclooxygenase 2/chemistry ; Cyclooxygenase Inhibitors/chemical synthesis ; Cyclooxygenase Inhibitors/chemistry ; Cyclooxygenase Inhibitors/metabolism ; Cyclooxygenase Inhibitors/pharmacology ; Edema/chemically induced ; Edema/drug therapy ; Female ; Lipoxygenase/chemistry ; Lipoxygenase Inhibitors/chemical synthesis ; Lipoxygenase Inhibitors/chemistry ; Lipoxygenase Inhibitors/metabolism ; Lipoxygenase Inhibitors/pharmacology ; Male ; Mice ; Models, Molecular ; Structure-Activity Relationship ; Thiazolidines/chemical synthesis ; Thiazolidines/metabolism
Czasopismo naukowe
Tytuł :
CoMFA, CoMSIA, and docking studies on thiolactone-class of potent anti-malarials: identification of essential structural features modulating anti-malarial activity.
Autorzy :
Roy KK; Division of Medicinal and Process Chemistry, Central Drug Research Institute CSIR, Lucknow-226001, India.
Bhunia SS
Saxena AK
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Źródło :
Chemical biology & drug design [Chem Biol Drug Des] 2011 Sep; Vol. 78 (3), pp. 483-93. Date of Electronic Publication: 2011 Jul 13.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Design*
Antimalarials/*chemistry
Antimalarials/*pharmacology
Plasmodium falciparum/*drug effects
Humans ; Malaria, Falciparum/drug therapy ; Models, Molecular ; Quantitative Structure-Activity Relationship ; Thiophenes/chemistry ; Thiophenes/pharmacology
Czasopismo naukowe
Tytuł :
4β-[(4-Alkyl)-1,2,3-triazol-1-yl] podophyllotoxins as anticancer compounds: design, synthesis and biological evaluation.
Autorzy :
Reddy DM; Synthetic and Biological Chemistry Division, Indian Institute of Integrative Medicine, Canal road, Jammu 180001, India.
Srinivas J
Chashoo G
Saxena AK
Sampath Kumar HM
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Źródło :
European journal of medicinal chemistry [Eur J Med Chem] 2011 Jun; Vol. 46 (6), pp. 1983-91. Date of Electronic Publication: 2011 Feb 24.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Design*
Antineoplastic Agents/*pharmacology
Apoptosis/*drug effects
Podophyllotoxin/*pharmacology
Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/chemistry ; Cell Cycle/drug effects ; Cell Line, Tumor ; DNA Fragmentation/drug effects ; Dose-Response Relationship, Drug ; Drug Screening Assays, Antitumor ; Humans ; Models, Molecular ; Molecular Conformation ; Podophyllotoxin/chemical synthesis ; Podophyllotoxin/chemistry ; Stereoisomerism ; Structure-Activity Relationship
Czasopismo naukowe
Tytuł :
Molecular modelling and docking studies on heat shock protein 90 (Hsp90) inhibitors.
Autorzy :
Saxena AK; Medicinal and Process Chemistry Division, Central Drug Research Institute, Lucknow 226001, India.
Saxena S
Chaudhaery SS
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Źródło :
SAR and QSAR in environmental research [SAR QSAR Environ Res] 2010 Jan 01; Vol. 21 (1), pp. 1-20.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Design*
Models, Molecular*
HSP90 Heat-Shock Proteins/*antagonists & inhibitors
Amino Acids/metabolism ; HSP90 Heat-Shock Proteins/metabolism ; Humans ; Hydrogen Bonding ; Molecular Structure ; Software
Czasopismo naukowe
Tytuł :
Studies on novel 4beta-[(4-substituted)-1,2,3-triazol-1-yl] podophyllotoxins as potential anticancer agents.
Autorzy :
Bhat BA; Synthetic Chemistry Division, Pharmacology Division, Indian Institute of Integrative Medicine (CSIR), Canal Road, Jammu-Tawi 180001, India.
Reddy PB
Agrawal SK
Saxena AK
Kumar HM
Qazi GN
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Źródło :
European journal of medicinal chemistry [Eur J Med Chem] 2008 Oct; Vol. 43 (10), pp. 2067-72. Date of Electronic Publication: 2007 Sep 29.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Design*
Antineoplastic Agents/*chemistry
Antineoplastic Agents/*pharmacology
Podophyllotoxin/*chemistry
Podophyllotoxin/*pharmacology
Triazoles/*chemistry
Antineoplastic Agents/chemical synthesis ; Cell Line, Tumor ; Humans ; Inhibitory Concentration 50 ; Podophyllotoxin/chemical synthesis ; Stereoisomerism ; Substrate Specificity
Czasopismo naukowe

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