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Showing 1-20 from 12713 results
Title:
Design and Synthesis of D 3 R Bitopic Ligands with Flexible Secondary Binding Fragments: Radioligand Binding and Computational Chemistry Studies.
Authors:
Tian GL; Division of Nuclear Medicine and Clinical Molecular Imaging, Department of Radiology, Perelman School of Medicine, University of Pennsylvania, Philadelphia, PA 19104, USA.
Hsieh CJ; Division of Nuclear Medicine and Clinical Molecular Imaging, Department of Radiology, Perelman School of Medicine, University of Pennsylvania, Philadelphia, PA 19104, USA.
Taylor M; Department of Pharmacology and Neuroscience, University of North Texas Health Science Center, Fort Worth, TX 76107, USA.
Lee JY; Division of Nuclear Medicine and Clinical Molecular Imaging, Department of Radiology, Perelman School of Medicine, University of Pennsylvania, Philadelphia, PA 19104, USA.
Luedtke RR; Department of Pharmacology and Neuroscience, University of North Texas Health Science Center, Fort Worth, TX 76107, USA.
Mach RH; Division of Nuclear Medicine and Clinical Molecular Imaging, Department of Radiology, Perelman School of Medicine, University of Pennsylvania, Philadelphia, PA 19104, USA.
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Source:
Molecules (Basel, Switzerland) [Molecules] 2023 Dec 24; Vol. 29 (1). Date of Electronic Publication: 2023 Dec 24.
Publication Type:
Journal Article
MeSH Terms:
Computational Chemistry*
Nitrogen*
Ligands ; Research Design
Academic Journal
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Title:
Unveiling geniposide from Paederia foetida as a potential antihypertensive treatment: an integrated approach involving in vivo and computational methods.
Authors:
Koley, Chanchal (AUTHOR)
Mondal, Arijit (AUTHOR)
Dey, Suddhsattya (AUTHOR)
Rawat, Ravi (AUTHOR)
Mondal, Anjan (AUTHOR)
Rangra, Naresh Kumar (AUTHOR)
Urolagin, Deeparani (AUTHOR)
Behera, Padmacharan (AUTHOR)
Mohanty, Dibya Lochan (AUTHOR)
Zafar, Ameeduzzafar (AUTHOR)
Eyupoglu, Volkan (AUTHOR)
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Source:
Future Journal of Pharmaceutical Sciences. 4/9/2024, Vol. 10 Issue 1, p1-17. 17p.
Academic Journal
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Title:
Exploring Geometrical, Electronic and Spectroscopic Properties of 2-Nitroimidazole-Based Radiopharmaceuticals via Computational Chemistry Methods.
Authors:
Crișan G; Faculty of Physics, Babeș-Bolyai University, Str. M. Kogălniceanu 1, RO-400084 Cluj-Napoca, Romania.; Department of Nuclear Medicine, County Clinical Hospital, Clinicilor 3-5, RO-400006 Cluj-Napoca, Romania.
Stan Ș; Faculty of Physics, Babeș-Bolyai University, Str. M. Kogălniceanu 1, RO-400084 Cluj-Napoca, Romania.
Chiș V; Faculty of Physics, Babeș-Bolyai University, Str. M. Kogălniceanu 1, RO-400084 Cluj-Napoca, Romania.; Institute for Research, Development and Innovation in Applied Natural Sciences, Babeș-Bolyai University, Str. Fântânele 30, RO-400327 Cluj-Napoca, Romania.
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Source:
Molecules (Basel, Switzerland) [Molecules] 2024 Mar 28; Vol. 29 (7). Date of Electronic Publication: 2024 Mar 28.
Publication Type:
Journal Article
MeSH Terms:
Radiopharmaceuticals*
Nitroimidazoles*
Computational Chemistry ; Electronics
Academic Journal
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Title:
Therapeutic role of medicinal plants against viral diseases focusing on COVID-19: Application of computational chemistry towards drug design.
Authors:
Mollaamin, Fatemeh
Shahriari, Sara
Monajjemi, Majid
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Alternate Title:
Papel terapéutico de las plantas medicinales contra enfermedades virales centradas en COVID-19: aplicación de la química computacional al diseño de fármacos.
Papel terapêutico das plantas medicinais contra doenças virais com foco no COVID-19: Aplicação da química computacional no design de medicamentos.
Source:
Revista Colombiana de Ciencias Químico-Farmacéuticas. 2024, Vol. 53 Issue 1, p19-43. 25p.
Academic Journal
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Title:
Dominance number on cyclooctane chains.
Authors:
Carević, Miroslava Mihajlov
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Alternate Title:
Número de dominancia en las cadenas de ciclooctano.
Число доминирования в циклооктановых цепочках.
Доминацијски број за циклооктанске ланце.
Source:
Military Technical Courier / Vojnotehnicki Glasnik. jan-mar2024, Vol. 72 Issue 1, p35-55. 21p.
Academic Journal
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Title:
A Computational Chemistry Investigation of the Influence of Steric Bulk of Dithiocarbamato-Bound Organic Substituents upon Spodium Bonding in Three Homoleptic Mercury(II) Bis(N,N-dialkyldithiocarbamato) Compounds for Alkyl = Ethyl, Isobutyl, and Cyclohexyl
Authors:
Gomila, Rosa M. (AUTHOR)
Tiekink, Edward R. T. (AUTHOR)
Frontera, Antonio (AUTHOR)
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Source:
Inorganics. Dec2023, Vol. 11 Issue 12, p468. 20p.
Academic Journal
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Title:
The Mechanism of Biochemical NO-Sensing: Insights from Computational Chemistry.
Authors:
Rozza AM; Department of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, 1111, Budapest Műegyetem rakpart 3., Hungary.; Department of Biotechnology, Faculty of Agriculture, Al-Azhar University, Cairo, 11651, Egypt.
Papp M; Department of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, 1111, Budapest Műegyetem rakpart 3., Hungary.
McFarlane NR; Department of Chemistry, KU Leuven, 3001, Leuven, Celestijnenlaan 200 f- box 2404, Belgium.
Harvey JN; Department of Chemistry, KU Leuven, 3001, Leuven, Celestijnenlaan 200 f- box 2404, Belgium.
Oláh J; Department of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, 1111, Budapest Műegyetem rakpart 3., Hungary.
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Source:
Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2022 Sep 01; Vol. 28 (49), pp. e202200930. Date of Electronic Publication: 2022 Jul 11.
Publication Type:
Journal Article
MeSH Terms:
Computational Chemistry*
Hemeproteins*/chemistry
Heme/chemistry ; Humans ; Nitric Oxide/chemistry ; Protein Binding ; Soluble Guanylyl Cyclase/chemistry ; Soluble Guanylyl Cyclase/metabolism
Academic Journal
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Title:
CADMA-Chem: A Computational Protocol Based on Chemical Properties Aimed to Design Multifunctional Antioxidants.
Authors:
Guzman-Lopez EG; Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. Ferrocarril San Rafael Atlixco 186, Col. Leyes de Reforma 1A Sección, Mexico City 09310, Mexico.
Reina M; Departamento de Química Inorgánica y Nuclear, Facultad de Química, Universidad Nacional Autónoma de México, Mexico City 04510, Mexico.
Perez-Gonzalez A; CONACYT-Universidad Autónoma Metropolitana-Iztapalapa, Av. Ferrocarril San Rafael Atlixco 186, Col. Leyes de Reforma 1A Sección, Mexico City 09310, Mexico.
Francisco-Marquez M; Instituto Politécnico Nacional-UPIICSA, Té 950, Col. Granjas México, Mexico City 08400, Mexico.
Hernandez-Ayala LF; Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. Ferrocarril San Rafael Atlixco 186, Col. Leyes de Reforma 1A Sección, Mexico City 09310, Mexico.
Castañeda-Arriaga R; Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. Ferrocarril San Rafael Atlixco 186, Col. Leyes de Reforma 1A Sección, Mexico City 09310, Mexico.
Galano A; Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. Ferrocarril San Rafael Atlixco 186, Col. Leyes de Reforma 1A Sección, Mexico City 09310, Mexico.
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Source:
International journal of molecular sciences [Int J Mol Sci] 2022 Oct 31; Vol. 23 (21). Date of Electronic Publication: 2022 Oct 31.
Publication Type:
Journal Article
MeSH Terms:
Antioxidants*/chemistry
Computational Chemistry*/methods
Humans ; Acetylcholinesterase/metabolism ; Alzheimer Disease/drug therapy ; Catechol O-Methyltransferase/metabolism ; Cholinesterase Inhibitors/pharmacology ; Oxidative Stress
Academic Journal
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Title:
Definition of the Acceptor Substrate Binding Specificity in Plant Xyloglucan Endotransglycosylases Using Computational Chemistry.
Authors:
Stratilová B; Institute of Chemistry, Slovak Academy of Sciences, SK-84538 Bratislava, Slovakia.
Stratilová E; Institute of Chemistry, Slovak Academy of Sciences, SK-84538 Bratislava, Slovakia.
Hrmova M; Jiangsu Collaborative Innovation Centre for Regional Modern Agriculture and Environmental Protection, School of Life Science, Huaiyin Normal University, Huai'an 223300, China.; School of Agriculture, Food and Wine & Waite Research Institute, University of Adelaide, Glen Osmond, SA 5064, Australia.
Kozmon S; Institute of Chemistry, Slovak Academy of Sciences, SK-84538 Bratislava, Slovakia.; Medical Vision o.z., SK-82108 Bratislava, Slovakia.
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Source:
International journal of molecular sciences [Int J Mol Sci] 2022 Oct 05; Vol. 23 (19). Date of Electronic Publication: 2022 Oct 05.
Publication Type:
Journal Article
MeSH Terms:
Computational Chemistry*
beta-Glucans*
Glucose ; Glycosylation ; Glycosyltransferases/metabolism ; Mannose ; Molecular Docking Simulation ; Plants/metabolism ; Polysaccharides/metabolism ; Substrate Specificity ; Xylans/chemistry ; Xylose
Academic Journal
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Showing 1-20 from 12713 results

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