Search Result "Molecular docking"


Research Article

In Silico Drug-designing Studies on Sulforaphane Analogues: Pharmacophore Mapping, Molecular Docking and QSAR Modeling

Journal: Current Drug Discovery Technologies
Volume: 18 Issue: 1 Year: 2021 Page: 139-157
Author(s): Neda Vaghefinezhad,Samaneh Fazeli Farsani,Sajjad Gharaghani

Research Article

Discovery and Design of Peptides as MMP9 Inhibitors through Structure-Based Molecular Docking for Targeted Mantle Cell Lymphoma Therapy

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 21 Issue: 1 Year: 2021 Page: 1551-1563
Author(s): Wei Yan,Ying Yang,Wei Yang,Minjie Wei

Research Article

Docking Studies with Multiple Molecular Targets Associated with SARSCoV- 2 for Drug Repurposing

Journal: Coronaviruses
Volume: 2 Issue: 8 Year: 2021 Page: 14-20
Author(s): Shiwani Rana,Meghali Panwar,Kalyan Sundar Ghosh

Letter Article

3D-QSAR, Docking, and Molecular Dynamics Simulations Studies on Quinazoline Derivatives as PAK4 Inhibitors

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 0 Year: 2021 Page: 1-15
Author(s): Xiao-Zhong Chen,Chen Dai,Yan Shen,Juan Wang,Yong Hu,Yuan-Qiang Wang,Zhi-Hua Lin

Research Article

Computational Investigation of Zerumbone as an Inhibitor of TNF-alpha Using Molecular Dynamics and Molecular Docking Methods

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 3 Year: 2021 Page: 258-268
Author(s): Salam Pradeep Singh,Khumukcham Nongalleima,NingthoujamIndrajit Singh,Wahengbam Kabita Chanu,ThiyamRamsing Singh,Chingakham Brajakisor Singh

Research Article

Synthesis, Molecular Docking and Molecular Dynamics Simulation of 2- Thioxothiazolidin-4-One Derivatives against Gp41

Journal: Current HIV Research
Volume: 19 Issue: 1 Year: 2021 Page: 47-60
Author(s): Nahid Tamiz,Tahereh Mostashari-Rad,Aylar Najafipour,Sandra Claes,Dominique Schols,Afshin Fassihi

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

Comparative COX I Molecular Docking of Phyto-chemicals (Flavonoids, Alkaloids, Lignans and Terpenoids) for Anti-platelet Aggregation Dynamics

Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 4 Year: 2021 Page: 571-578
Author(s): Acharya Balkrishna,Subarna Pokhrel,Anurag Varshney

Research Article

Systematic Evaluation of the Mechanisms of Mulberry Leaf (Morus alba Linne) Acting on Diabetes Based on Network Pharmacology and Molecular Docking

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 24 Issue: 5 Year: 2021 Page: 668-682
Author(s): Qiguo Wu,Yeqing Hu

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

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