Search Result "Molecular docking"


Research Article

Design of Potential IKK-β Inhibitors using Molecular Docking and Molecular Dynamics Techniques for their Anti-cancer Potential

Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 1 Year: 2021 Page: 83-94
Author(s): Salam Pradeep Singh,Iftikar Hussain,Bolin Kumar Konwar,Ramesh Chandra Deka,Chingakham Brajakishor Singh

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

Design, Synthesis, Characterization and In Silico Molecular Docking Studies and In Vivo Anti-inflammatory Activity of Pyrazoline Clubbed Thiazolinone Derivatives

Journal: Letters in Organic Chemistry
Volume: 18 Issue: 9 Year: 2021 Page: 735-748
Author(s): Deepak Kumar Singh,Mayank Kulshreshtha,Yogesh Kumar,Pooja A. Chawla,Akash Ved,Karuna Shanker Shukla

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

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

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

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

Molecular Docking Studies of Glycyrrhetinic Acid Derivatives as Anti- Colorectal Cancer Agents

Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 3 Year: 2021 Page: 429-444
Author(s): Nam Q.H. Doan,Tuyen N. Truong,Phuong T.V. Nguyen

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

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