Search Result "ADME"


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

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

General Research Article

Isolation, Docking and In Silico ADME-T Studies of Acacianol: Novel Antibacterial Isoflavone Analogue Isolated from Acacia leucophloea Bark

Journal: Current Drug Metabolism
Volume: 22 Issue: 1 Year: 2021 Page: 893-904
Author(s): Rajeev K. Singla,Rajesh Gupta,Shikha Joon,Arun K. Gupta,Bairong Shen

Research Article

Molecular Docking of the Cardenolides of Asclepias subulata in the Human p53 Protein Reveals an Interaction in the Cleft of the Y220C Mutant

Journal: Current Chemical Biology
Volume: 15 Issue: 3 Year: 2021 Page: 222-233
Author(s): Ignacio Valenzuela-Chavira,Salvador Meneses-Sagrero,Aldo A. Arvizu-Flores,Javier Hernández-Paredes,Luisa Rascón-Valenzuela,Carlos A. Velázquez-Contreras,Ramón E. Robles-Zepeda

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

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

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

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

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