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Search Result "ADME properties"

Research Article

Identification of Antimycobacterial Agent Using In Silico Virtual Screening,ADME Prediction, Docking, and Molecular Dynamics SimulationsApproach

Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 6 Year: 2021 Page: 806-816
Author(s): Swayansiddha Tripathy,Susanta Kumar Sahu,Mohammed Afzal Azam,Srikanth Jupudi,Vivek Kumar Gupta,Shweta Sharma

Research Article

Virtual Screening, Molecular Docking and In silico ADME-Tox Analysis for Identification of Potential Main Protease (Mpro) Enzyme Inhibitors

Journal: Anti-Infective Agents
Volume: 19 Issue: 4 Year: 2021 Page: 11-27
Author(s): Debadash Panigrahi,Ganesh Prasad Mishra

Research Article

Design and Synthesis of Novel Aminoalkanamides Targeting Neurodegeneration and Symptoms of Alzheimer’s Disease

Journal: Current Medicinal Chemistry
Volume: 28 Issue: 29 Year: 2021 Page: 6082-6094
Author(s): Agnieszka Jankowska,Grzegorz Satała,Gniewomir Latacz,Anna Partyka,Annamaria Lubelska,Krzysztof Pociecha,Artur Świerczek,Natalia Wilczyńska,Barbara Mordyl,Andrzej J. Bojarski,Elżbieta Wyska,Grażyna Chłoń-Rzepa

Research Article

Discovery of Traditional Chinese Medicine Derived Compounds as Wild Type and Mutant Plasmodium falciparum Dihydrofolate Reductase Inhibitors: Induced Fit Docking and ADME Studies

Journal: Current Drug Discovery Technologies
Volume: 18 Issue: 4 Year: 2021 Page: 554-569
Author(s): Opeyemi Iwaloye,Olusola Olalekan Elekofehinti,Babatomiwa Kikiowo,Toyin Mary Fadipe,Moses Orimoloye Akinjiyan,Esther Opeyemi Ariyo,Olabisi Olapade Aiyeku,Nicholas Adeyemi Adewumi

Research Article

Unveiling the Anti-tubercular Properties of Biscoumarins, through Biological Evaluation and Docking Studies

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 1 Year: 2021 Page: 57-66
Author(s): Poornima Acharya,M.M.V. Ramana,Manish Upadhyay,Ganesh Pavale

Research Article

Synthesis and In Silico Studies of C-4 Substituted Coumarin Analogues as Anticancer Agents

Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 4 Year: 2021 Page: 560-570
Author(s): Jyoti Dandriyal,Kamalpreet Kaur,Vikas Jaitak

Research Article open access plus

Discovery of Structural Prospects of Imidazo[1,5-a]pyrazine Derivatives as BTK Inhibitors Against Cancer: A Computational Study

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 0 Year: 2021 Page: 1-13
Author(s): Amena Ali,Abuzer Ali,Mohamed Jawed Ahsan

General Research Article

Induced Fit Docking and Automated QSAR Studies Reveal the ER-α Inhibitory Activity of Cannabis sativa in Breast Cancer

Journal: Recent Patents on Anti-Cancer Drug Discovery
Volume: 16 Issue: 2 Year: 2021 Page: 273-284
Author(s): Babatomiwa Kikiowo,Adewale J. Ogunleye,Opeyemi Iwaloye,Taiwo T. Ijatuyi,Niyi S. Adelakun,Wasiu O. Alashe

Research Article

A Combined Approach of Pharmacophore Modeling, QSAR Study, Molecular Docking and In silico ADME/Tox Prediction of 4-Arylthio & 4-Aryloxy-3- Iodopyridine-2(1H)-one Analogs to identify Potential Reverse Transcriptase Inhibitor: Anti-HIV Agents

Journal: Medicinal Chemistry
Volume: 17 Issue: 0 Year: 2021 Page: 1-37
Author(s): Debadash Panigrahi,Amiyakanta Mishra,Susanta Kumar Sahu,Mohd. Afzal Azam,C.M. Vyshaag

Letter Article

Virtual Screening of the Flavonoids Compounds with the SARS-CoV-2 3C-like Protease as the Lead Compounds for the COVID-19

Journal: Coronaviruses
Volume: 2 Issue: 0 Year: 2021 Page: 1-9
Author(s): Gabriella Patricia Adisurja,Arli Aditya Parkesit

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