Search Result "dockingsimulation"


Density Functional Theory, Docking, Bioisosteric Replacement, Pharmacophore Perception, Physical Chemical Analyses of the Interactions of Novel PIM-1 Inhibitors with Suitable Pharmacokinetic Properties for Cancer Treatment

Journal: Current Physical Chemistry
Volume: 3 Issue: 4 Year: 2013 Page: 408-412
Author(s): Luiz R. G. Filho,Gustavo Y. Miyake,Carlos H. T. P. da Silva

Research Article

Synthesis and Evaluation of Isatin Schiff Bases Against Plant Pathogens Validated Through Aspartyl Protease and Acetylcholine Binding Proteins Docked Studies

Journal: Letters in Organic Chemistry
Volume: 18 Issue: 12 Year: 2021 Page: 1000-1011
Author(s): Shivani Loomba,Divya Utreja,Komalpreet Kaur,Jaspal Kaur,Shivali Sharma,Narpinderjit K. Dhillon,Rajesh K. Pathak

Research Article

Proposition of Potential GSK-3β Inhibitors for the Treatment of Alzheimer’s Disease: A Molecular Modeling Study

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 5 Year: 2020 Page: 541-554
Author(s): Leandro L. Castro,Leide C. S. Picanço,Jaderson V. Silva,Lucilene R. Souza,Kessia P. A. Sousa,Abraão A. Pinheiro,Gisele A. Chaves,Hueldem R. C. Teixeira,Guilherme M. Silva,Carlton A. Taft,Carlos H.T. de P. da Silva,Lorane I. da S. Hage-Melim

Virtual Screening and Molecular Descriptor Analysis on Dietary Phytochemicals Against Heat Shock Protein 90 Enzyme

Journal: Letters in Drug Design & Discovery
Volume: 11 Issue: 1 Year: 2014 Page: 40-49
Author(s): Salam Pradeep Singh,Bolin Kumar Konwar

Research Article

Efficacy Screening of Prospective Anti-allergic Drug Candidates: AnIn silico Study

Journal: Current Bioinformatics
Volume: 18 Issue: 2 Year: 2023 Page: 143-153
Author(s): Anindya Sundar Panja

Review Article

Chalcone Derivatives as Antibacterial Agents: An Updated Overview

Journal: Current Medicinal Chemistry
Volume: 31 Issue: 17 Year: 2024 Page: 2314-2329
Author(s): Aldo S. de Oliveira,Arthur R. Cenci,Maria Eduarda C. Thedy,Antônio L. Braga

Research Article

Design, Synthesis, and Assay of New N-acyl-4-(4-aminoalkoxy- phenyl)-thiazole-2-amine Derivatives as Acetylcholinesterase Inhibitors

Journal: Letters in Drug Design & Discovery
Volume: 20 Issue: 9 Year: 2023 Page: 1318-1328
Author(s):

Research Article

Assessing the Performance of GOLD, Glide and MM-GBSA on a Datasetof Hydrazide-hydrazone-based Tuberculostatics

Journal: Letters in Drug Design & Discovery
Volume: 20 Issue: 10 Year: 2023 Page: 1557-1568
Author(s):

Research Article

Molecular Docking Simulations as a Prominent Tool to Envisage the Preformulation Perspectives of Oral Hypoglycaemic Agents with β-cyclodextrin

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 11 Year: 2017 Page: 1283-1290
Author(s): Sant K. Verma,Akhlesh K. Jain

Research Article

Trimethoxy Crown Chalcones as Multifunctional Class of MonoamineOxidase Enzyme Inhibitors

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 25 Issue: 8 Year: 2022 Page: 1314-1326
Author(s): Naseer Maliyakkal,Ipek Baysal,Anandkumar Tengli,Gulberk Ucar,Mohammad Ali Abdullah Almoyad,Della Grace Thomas Parambi,Nicola Gambacorta,Orazio Nicolotti,Asmy Appadath Beeran,Bijo Mathew

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