Search Result "AutoDock 4.2"


Research Article

Molecular Docking Demonstration of the Liquorice Chemical Molecules on the Protease and ACE2 of COVID-19 Virus

Journal: Current Enzyme Inhibition
Volume: 17 Issue: 2 Year: 2021 Page: 98-110
Author(s): Ä°smail Koyuncu,Mustafa Durgun,Nuri Yorulmaz,Sahin Toprak,Ataman Gonel,Nihayet Bayraktar,Murat Caglayan

Research Article

In-silico Designing of Novel Camptothecin Analogues as Potent Inhibitors of Topoisomerase I: A Molecular Docking, QSAR, and ADME-T Study

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 9 Year: 2016 Page: 859-868
Author(s): Darpan Raghav, Babukrishna Maniyadath, Aruna Mohan, Sutari Sairam, Rinu Mary Rajan, Krishnan Rathinasamy

Homology Modeling of Human Kynurenine Aminotransferase III and Observations on Inhibitor Binding Using Molecular Docking

Journal: Central Nervous System Agents in Medicinal Chemistry
Volume: 14 Issue: 1 Year: 2014 Page: 2-9
Author(s): Alireza Nematollahi,William B. Church,Naveed A. Nadvi,Mark D. Gorrell,Guanchen Sun

Research Article

Molecular Insights into the Interaction of Ursolic Acid and Cucurbitacin from Colocynth with Therapeutic Targets of Mycobacterium tuberculosis

Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 1 Year: 2020 Page: 1309-1318
Author(s): Mohammad Ajmal Ali,Mohammad Abul Farah,Joongku Lee,Khalid M. Al-Anazi,Fahad M.A. Al-Hemaid

Water Molecules Increases Binding Affinity of Natural PI3Kγ Inhibitors Against Cancer

Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 4 Year: 2015 Page: 304-320
Author(s): Pooja Sharma,Aparna Shukla,Komal Kalani,Vijaya Dubey,Santosh Kumar Srivastava,Suaib Luqman,Feroz Khan

Research Article

Ligand based Drug Design of New Heterocyclic Imines of GABA Analogues: A Molecular Docking Approach for the Discovery of New GABA-AT Inhibitors

Journal: Central Nervous System Agents in Medicinal Chemistry
Volume: 17 Issue: 1 Year: 2017 Page: 58-63
Author(s): Bijo Mathew, Githa E. Mathew, Jerad Suresh, Dhasthakeer Usman, Puthucode N.S. Subramanyan, Kallivalappil F. Safna

Research Article

Some Flavolignans as Potent Sars-Cov-2 Inhibitors via Molecular Docking,Molecular Dynamic Simulations and ADME Analysis

Journal: Current Computer-Aided Drug Design
Volume: 18 Issue: 5 Year: 2022 Page: 337-346
Author(s):

Research Article

Molecular Docking and Semi-Empirical Quantum Studies on Cholesterol with Cyclodextrins

Journal: Current Nutrition & Food Science
Volume: 14 Issue: 3 Year: 2018 Page: 204-210
Author(s): Boubaker Hosouna,Ashraf A.A. Abdusalam,Hassan Y. Aboul-Enein,Hebatallah A. Wagdy

Research Article

A Computational Study of Natural Compounds from Bacopa monnieri in the Treatment of Alzheimer's Disease

Journal: Current Pharmaceutical Design
Volume: 26 Issue: 7 Year: 2020 Page: 790-800
Author(s): Qazi M.S. Jamal,Mughees U. Siddiqui,Ali H. Alharbi,Fahad Albejaidi,Salman Akhtar,Mohammad A. Alzohairy,Mohammad A. Kamal,Kavindra K. Kesari

Research Article

Design, Synthesis and Biological Activity of Some 4, 5-Disubstituted-2, 4- Dihydro-3H-1, 2, 4- Triazole-3-Thione Derivatives

Journal: Central Nervous System Agents in Medicinal Chemistry
Volume: 19 Issue: 3 Year: 2019 Page: 197-205
Author(s): Krishan Kumar Verma,Umesh Kumar Singh,Jainendra Jain

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