ArticleRSC advances2021
Docking studies and molecular dynamics simulation of triazole benzene sulfonamide derivatives with human carbonic anhydrase IX inhibition activity.
Article in RSC advances, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 32 papers.
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Who cites it
32 citing papers in PubMed, 94 citations in OpenAlex.
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- (Z)-N-(3-([1,1'-biphenyl]-2-yl)-4-heptyl-4-hydroxythiazolidin-2-ylidene)-4-bromobenzamide as carbonic anhydrase inhibitor: exploration of its in vitro and in silico studies.BMC chemistry · 2025Article
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- Synthesis and Structure-Activity Relationship (SAR) Studies on New 4-Aminoquinoline-Hydrazones and Isatin Hybrids as Promising Antibacterial Agents.Molecules (Basel, Switzerland) · 2024Article
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- Design and synthesis of chromene-1,2,3-triazole benzene sulfonamide hybrids as potent carbonic anhydrase-IX inhibitors against prostate cancer.RSC medicinal chemistry · 2024Article
- Developing phytocompound-based new drugs against multi-drug-resistantRoyal Society open science · 2024Article
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Corrections and comments
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Authors and funding
2 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Carbonic anhydrase IX has been used as a hypoxia endogenous marker in a range of solid tumors including renal cell, lung, bladder and tumors of the head and neck. α-CA IX isozyme is over-expressive in hypoxic environment which becomes an attractive target for the design of inhibitors' targeting cancer particularly, tumor progression and invasion. In the process of designing new leads for the inhibition of tumor-associated hCA IX, the best triazole benzene sulfonamide derivatives were obtained from the QSAR model published in the research paper as cited. The statistically validated QSAR model was utilized for bioactivity prediction of novel leads. Further the designed molecules having good scores were subjected to molecular docking studies and molecular dynamic simulation studies. Designed compounds 1, 2, 20, 24 and 27 have shown predicted bioactivity of 9.13, 9.65, 10.05, 10.03 and 10.104 logarithmic units respectively using QSAR model 2. The low energy conformations of the above compounds exhibited good Autodock binding energy scores (-8.1, -8.2, -8.1, -8.3 and -9.2 K cal mol
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.