3D-QSAR (CoMFA, CoMSIA, HQSAR and topomer CoMFA), MD simulations and molecular docking studies on purinylpyridine derivatives as B-Raf inhibitors for the treatment of melanoma cancer-Reference-Cited by-同舟云学术

3D-QSAR (CoMFA, CoMSIA, HQSAR and topomer CoMFA), MD simulations and molecular docking studies on purinylpyridine derivatives as B-Raf inhibitors for the treatment of melanoma cancer

Published:2019-04-22 Issue:6 Volume:30 Page:2093-2107
ISSN:1040-0400
Container-title:Structural Chemistry
language:en
Short-container-title:Struct Chem

Author:

Chavda Jaydeepsinh,Bhatt Hardik^ORCID

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics

Link

http://link.springer.com/content/pdf/10.1007/s11224-019-01334-9.pdf

Reference25 articles.

1. http://www.who.int/en/news-room/fact-sheets/detail/cancer (Accessed on 5th October 2018)

2. List of rare diseases and synonyms (2018) https://www.orpha.net/orphacom/cahiers/docs/GB/List_of_rare_diseases_in_alphabetical_order.pdf . Accessed 5 Oct 2018

3. Liu L, Xu J, Yang J, Feng C, Miao Y (2017). Bioorg Med Chem Lett 27:4952

4. Neidle S (2013) Cancer drug design and discovery, 2nd edn. Acedamic Press, London

5. Rahman MA, Salajegheh A, Smith RA, Lam AKY (2013). Exp Mol Pathol 95:336

Cited by 19 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Combining QSAR techniques, molecular docking, and molecular dynamics simulations to explore anti-tumor inhibitors targeting Focal Adhesion Kinase;Journal of Biomolecular Structure and Dynamics;2024-01-03

2. Design of potential anti-cancer agents as COX-2 inhibitors, using 3D-QSAR modeling, molecular docking, oral bioavailability proprieties, and molecular dynamics simulation;Anti-Cancer Drugs;2023-11-29

3. Exploring the Potential of Vortioxetine Derivatives as Inhibitors of SARS‐CoV‐2 Main Protease: A Computational Study;ChemistrySelect;2023-11-02

4. The importance of good practices and false hits for QSAR-driven virtual screening real application: a SARS-CoV-2 main protease (Mpro) case study;Frontiers in Drug Discovery;2023-07-25

5. QSAR, molecular docking, and molecular dynamics simulation–based design of novel anti-cancer drugs targeting thioredoxin reductase enzyme;Structural Chemistry;2023-01-20