Search Result "3D-QSAR"


Research Article

Molecular Docking, 3D-QSAR, Fingerprint-Based 2D-QSAR, Analysis of Pyrimidine, and Analogs of ALK (Anaplastic Lymphoma Kinase) Inhibitors as an Anticancer Agent

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 5 Year: 2021 Page: 509-521
Author(s): Vivek Yadav,Rajiv Kumar Tonk,Ramchander Khatri

Research Article

Improved 3D-QSAR Prediction by Multiple Conformational Alignments and Molecular Docking Studies to Design and Discover HIV-I Protease Inhibitors

Journal: Current HIV Research
Volume: 19 Issue: 2 Year: 2021 Page: 154-171
Author(s): Paresh K. Patel,Hardik G. Bhatt

Research Article

Structural Investigations of Aroylindole Derivatives through 3D-QSAR and Multiple Pharmacophore Modeling for the Search of Novel Colchicines Inhibitor

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 2 Year: 2021 Page: 131-142
Author(s): Vijay K. Patel,Harish Rajak

Research Article

Rationalization of the activity Profile of Pyruvate Kinase Isozyme M2 (PKM2) Inhibitors using 3D QSAR

Journal: Current Topics in Medicinal Chemistry
Volume: 21 Issue: 0 Year: 2021 Page: 1-14
Author(s): Merugumala Kusuma,Sahil Arora,Sourav Kalra,Anuhar Chaturvedi,Michael Heuser,Raj Kumar

Research Article

In Silico Drug Design: Development of New Pyrimidine-based Benzothiazole Derivatives, Selective for CDK2

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 0 Year: 2021 Page: 1-15
Author(s): Rania Kasmi,Larbi Elmchichi,Abdellah El Aissouq,Mohammed Bouachrine,Abdelkrim Ouammou

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

Research Article

Pharmacophore Generation, Quantitative Structure-Activity Relationship (QSAR), and Molecular Dynamic Simulation of Newly Substituted N-(6- Chloro-3-cyano-4-phenyl-4H-chromen-2-yl)-2-(4-chloro-phenoxy)-acetamide for Anticancer Activity

Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 4 Year: 2021 Page: 504-510
Author(s): Divya Chauhan,Sushil Kumar,Syed Riaz Hashim,Vinit Raj

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

Review Article

Recent trends in QSAR in Modelling of Drug-Protein and Protein-Protein Interactions

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 24 Issue: 7 Year: 2021 Page: 1031-1041
Author(s): Smriti Sharma,Vinayak Bhatia

Research Article

From Anti-infective Agents to Cancer Therapy: A Drug Repositioning Study Revealed a New Use for Nitrofuran Derivatives

Journal: Medicinal Chemistry
Volume: 17 Issue: 0 Year: 2021 Page: 1-11
Author(s): Gabriella Ortore,Giulio Poli,Adriano Martinelli,Tiziano Tuccinardi,Flavio Rizzolio,Isabella Caligiuri

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