3D-QSAR CoMFA Studies on Benzenesulfonamides with Benzimidazole Moieties as Inhibitors of Carbonic Anhydrases XII as Antitumor Agents-Reference-Cited by-同舟云学术

3D-QSAR CoMFA Studies on Benzenesulfonamides with Benzimidazole Moieties as Inhibitors of Carbonic Anhydrases XII as Antitumor Agents

Published:2019-04-26 Issue:1 Volume:15 Page:69-77
ISSN:1573-4080
Container-title:Current Enzyme Inhibition
language:en
Short-container-title:CEI

Author:

Singh Shalini¹

Affiliation:

1. QSAR & Cheminformatics Laboratory, Department of Chemistry, Bareilly College, UP, Bareilly, India

Abstract

Introduction: In recent times, a new very significant research area has developed and obtained the potential use of Carbonic Anhydrase inhibitors as Antitumor agents. Methods: A series of sulfonamides and Benzenesulfonamides with benzimidazole moieties to inhibit CSXII was considered in this study. Results and Conclusion: The best model was obtained with a predictive r2 value of 0.678 and cross validated coefficient q2 value as 0.529 in tripos CoMFA region. The paper shows that the electrostatic and steric effects are important features in Carbonic Anhydrase XII inhibition for the investigated compounds. The effort has been undertaken to search for the structural aspects of bioactive molecules.

Publisher

Bentham Science Publishers Ltd.

Subject

Drug Discovery,Molecular Medicine,Biochemistry

Reference17 articles.

1. Supuran CT. Carbonic anhydrases: Novel therapeutic applications for inhibitors and activators.

2. Mincione F, Menabuoni L, Supuran CT. Clinical applicationsof the Carbonic anhydrase inhibitors in ophthalmology.

3. Supuran CT, Scozzafava A, Conway J.

4. Clare BW, Supuran CT.

5. Jiang Y-R, Chen Y-L, Yang Y-Y, Liu Q. Quantitative structure-activity relationship of 2-alkyl-4-(biphenylylmethoxy) pyridine 5derivatives with AT1 receptor antagonistic activity.

Cited by 2 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. Benzimidazole‐Containing Compounds as Anticancer Agents;ChemistrySelect;2024-08-22

2. Recent Advances in Biological Active Sulfonamide based Hybrid Compounds Part B: Two-Component Sulfonamide Hybrids;Current Medicinal Chemistry;2023-02