Identification of novel CA IX inhibitor: Pharmacophore modeling, docking, DFT, and dynamic simulation-Reference-Cited by-同舟云学术

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Identification of novel CA IX inhibitor: Pharmacophore modeling, docking, DFT, and dynamic simulation

Published:2024-06 Issue: Volume:110 Page:108073
ISSN:1476-9271
Container-title:Computational Biology and Chemistry
language:en
Short-container-title:Computational Biology and Chemistry

Author:

Packiapalavesam Shakthi Devi,Saravanan Venkatesan,Mahajan Anand A.^ORCID,Almutairi Mikhlid H.,Almutairi Bader O.,Arockiaraj Jesu,Kathiravan Muthu Kumaradoss,Karthick Raja Namasivayam S.

Publisher

Elsevier BV

Reference44 articles.

1. Insights towards sulfonamide drug specificity in α-carbonic anhydrases;Aggarwal;Bioorg. Med. Chem.,2013

2. Multiple binding modes of inhibitors to carbonic anhydrases: how to design specific drugs targeting 15 different isoforms?;Alterio;Chem. Rev.,2012

3. Carbonic anhydrases in metazoan model organisms: molecules, mechanisms, and physiology;Aspatwar;Physiol. Rev.,2022

4. Selenium-analogs based on natural sources as cancer-associated carbonic anhydrase isoforms IX and XII inhibitors;Astrain-Redin;J. Enzym. Inhib. Med. Chem.,2023

5. ProTox-II: a webserver for the prediction of toxicity of chemicals;Banerjee;Nucleic Acids Res.,2018

Cited by 1 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. Synthesis, biochemical screening and in-silico investigations of arylsulfonamides bearing linear and cyclic tails;Bioorganic & Medicinal Chemistry Letters;2024-09

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