3D-QSAR study of benzene sulfonamide analogs as carbonic anhydrase II inhibitors

2010 ◽  
Vol 20 (10) ◽  
pp. 3089-3093 ◽  
Author(s):  
Kalyan K. Sethi ◽  
Saurabh M. Verma ◽  
Naru Prasanthi ◽  
Suvendu K. Sahoo ◽  
Rabi N. Parhi ◽  
...  
Keyword(s):  
Carbonic Anhydrase ◽  
3D Qsar ◽  
Carbonic Anhydrase Ii ◽  
Qsar Study

3D-QSAR study of sulfonamide inhibitors of human carbonic anhydrase II

2007 ◽  
Vol 42 (3) ◽  
pp. 365-372 ◽  
Author(s):  
Huoqiang Huang ◽  
Xulin Pan ◽  
Ninghua Tan ◽  
Guangzhi Zeng ◽  
Changjiu Ji
Keyword(s):  
Carbonic Anhydrase ◽  
3D Qsar ◽  
Carbonic Anhydrase Ii ◽  
Qsar Study ◽  
Human Carbonic Anhydrase

scholarly journals Analysis of Human Carbonic Anhydrase II: Docking Reliability and Receptor-Based 3D-QSAR Study.

ChemInform ◽  
2007 ◽  
Vol 38 (24) ◽  
Author(s):  
Tiziano Tuccinardi ◽  
Elisa Nuti ◽  
Gabriella Ortore ◽  
Claudiu T. Supuran ◽  
Armando Rossello ◽  
...  
Keyword(s):  
Carbonic Anhydrase ◽  
3D Qsar ◽  
Carbonic Anhydrase Ii ◽  
Qsar Study ◽  
Human Carbonic Anhydrase

Analysis of Human Carbonic Anhydrase II:  Docking Reliability and Receptor-Based 3D-QSAR Study

2007 ◽  
Vol 47 (2) ◽  
pp. 515-525 ◽  
Author(s):  
Tiziano Tuccinardi ◽  
Elisa Nuti ◽  
Gabriella Ortore ◽  
Claudiu T. Supuran ◽  
Armando Rossello ◽  
...  
Keyword(s):  
Carbonic Anhydrase ◽  
3D Qsar ◽  
Carbonic Anhydrase Ii ◽  
Qsar Study ◽  
Human Carbonic Anhydrase

QSAR study using topological indices for inhibition of carbonic anhydrase II by sulfanilamides and Schiff bases

2004 ◽  
Vol 8 (4) ◽  
pp. 401-412 ◽  
Author(s):  
Alexandru T. Balaban ◽  
Subhash C. Basak ◽  
Adrian Beteringhe ◽  
Denise Mills ◽  
Claudiu T. Supuran
Keyword(s):  
Carbonic Anhydrase ◽  
Schiff Bases ◽  
Topological Indices ◽  
Carbonic Anhydrase Ii ◽  
Qsar Study

Homology Modeling and Receptor-Based 3D-QSAR Study of Carbonic Anhydrase IX

2007 ◽  
Vol 47 (6) ◽  
pp. 2253-2262 ◽  
Author(s):  
Tiziano Tuccinardi ◽  
Gabriella Ortore ◽  
Armando Rossello ◽  
Claudiu T. Supuran ◽  
Adriano Martinelli
Keyword(s):  
Carbonic Anhydrase ◽  
Homology Modeling ◽  
3D Qsar ◽  
Carbonic Anhydrase Ix ◽  
Qsar Study

QSAR STUDIES ON HUMAN CARBONIC ANHYDRASE II INHIBITORS

INDIAN DRUGS ◽  
2021 ◽  
Vol 58 (11) ◽  
pp. 18-28
Author(s):  
Tanvi V. Wani ◽  
◽  
Mrunmayee P. Toraskar
Keyword(s):  
Carbonic Anhydrase ◽  
Nearest Neighbor ◽  
3D Qsar ◽  
Field Analysis ◽  
Molecular Field ◽  
Carbonic Anhydrase Ii ◽  
Carbonic Anhydrases ◽  
K Nearest Neighbor ◽  
Qsar Studies ◽  
Molecular Field Analysis

Carbonic anhydrase II is one of the forms of human α carbonic anhydrases which are ubiquitous metalloenzymes that catalyze inter-conversion of carbon dioxide and water to bicarbonate and proton, overexpression of which leads to disorders such as glaucoma. 2D and 3D Quantitative Structure Activity Relationship studies were carried out on previously synthesized series of sulfanilamide derivatives by VLife MDS software using stepwise variable, multi-linear regression and k-nearest neighbor molecular field analysis methods. 2D-QSAR model depicts contribution of halogens (such as chlorine and fluorine), methylene and oxygen atoms to inhibition of human carbonic anhydrases II activity. Using k-nearest neighbor molecular field analysis method two 3D-QSAR models (model A and B) were generated from which model A was found to be the best validated model with q2 (0.9494), pred_r2 (0.7367) and q2 _ se (0.2037). It displayed the fact that the inhibitory action of sulfanilamide derivatives against human carbonic anhydrases II is influenced by hydrophobicity and electro positivity.

QSAR study on para-substituted aromatic sulfonamides as carbonic anhydrase II inhibitors using topological information indices

2006 ◽  
Vol 14 (4) ◽  
pp. 1108-1114 ◽  
Author(s):  
Georgia Melagraki ◽  
Antreas Afantitis ◽  
Haralambos Sarimveis ◽  
Olga Igglessi-Markopoulou ◽  
Claudiu T. Supuran
Keyword(s):  
Carbonic Anhydrase ◽  
Carbonic Anhydrase Ii ◽  
Qsar Study ◽  
Topological Information ◽  
Information Indices

ChemInform Abstract: Homology Modeling and Receptor-Based 3D-QSAR Study of Carbonic Anhydrase IX.

ChemInform ◽  
2008 ◽  
Vol 39 (7) ◽  
Author(s):  
Tiziano Tuccinardi ◽  
Gabriella Ortore ◽  
Armando Rossello ◽  
Claudiu T. Supuran ◽  
Adriano Martinelli
Keyword(s):  
Carbonic Anhydrase ◽  
Homology Modeling ◽  
3D Qsar ◽  
Carbonic Anhydrase Ix ◽  
Qsar Study
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