Ligand based pharmacophore modelling and integrated computational approaches in the quest for small molecule inhibitors against hCA IX-Reference-Cited by-同舟云学术

Ligand based pharmacophore modelling and integrated computational approaches in the quest for small molecule inhibitors against hCA IX

Published:2024 Issue:5 Volume:14 Page:3346-3358
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Saravanan Venkatesan¹,Chagaleti Bharath Kumar¹,Packiapalavesam Shakthi Devi¹,Kathiravan Muthukumaradoss²^ORCID

Affiliation:

1. Department of Pharmaceutical Chemistry, SRM College of Pharmacy, SRM Institute of Science and Technology, Kattankulathur, Chengalpattu 603203, India

2. Dr A. P. J. Abdul Kalam Research Lab, Department of Pharmaceutical Chemistry, SRM College of Pharmacy, SRM Institute of Science and Technology, Kattankulathur, Chengalpattu, Chennai 603 203, India

Abstract

An integrated computational approach in search of potent hCA IX inhibitors.

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/RA/D3RA08618F

Reference48 articles.

1. Cancer statistics, 2023

2. World Health Organization , Cancer Statistics , 2020

3. A view on drug resistance in cancer

4. New approaches and procedures for cancer treatment: Current perspectives

5. Recent advances in the medicinal chemistry of carbonic anhydrase inhibitors

Cited by 9 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. Multitargeted molecular docking and dynamics simulation of thymol-based chalcones against cancer protein markers: Synthesis, characterization, and computational study;Journal of Molecular Structure;2024-12

2. Targeting cyclin-dependent kinase 2 CDK2: Insights from molecular docking and dynamics simulation – A systematic computational approach to discover novel cancer therapeutics;Computational Biology and Chemistry;2024-10

3. Thymol-1,2,3-triazole derivatives: Network Pharmacology, Molecular Simulations and Synthesis Targeting Breast Cancer;Journal of Molecular Structure;2024-09

4. Scrutinizing Potential Phytoconstituents from Bauhinia variegata in Mitigating the Symptoms of Polycystic Ovarian Syndrome: A Computational Approach;Indian Journal of Pharmaceutical Education and Research;2024-08-10

5. Conformational analysis and spectroscopic properties of antichagasic nifurtimox;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2024-08