Cerebrovasodilatation through selective inhibition of the enzyme carbonic anhydrase. 1. Substituted benzenedisulfonamides

1978 ◽  
Vol 21 (9) ◽  
pp. 845-850 ◽  
Author(s):  
Peter E. Cross ◽  
Brian Gadsby ◽  
Gerald F. Holland ◽  
William M. McLamore
Keyword(s):  
Carbonic Anhydrase ◽  
Selective Inhibition ◽  
Carbonic Anhydrase 1

scholarly journals Prediction of activity and selectivity profiles of human Carbonic Anhydrase inhibitors using machine learning classification models

2021 ◽  
Vol 13 (1) ◽  
Author(s):  
Annachiara Tinivella ◽  
Luca Pinzi ◽  
Giulio Rastelli
Keyword(s):  
Machine Learning ◽  
Carbonic Anhydrase ◽  
A Priori ◽  
Selective Inhibition ◽  
Great Promise ◽  
Classification Models ◽  
Machine Learning Classification ◽  
Central Interest ◽  
Human Carbonic Anhydrase ◽  
In Silico Models

AbstractThe development of selective inhibitors of the clinically relevant human Carbonic Anhydrase (hCA) isoforms IX and XII has become a major topic in drug research, due to their deregulation in several types of cancer. Indeed, the selective inhibition of these two isoforms, especially with respect to the homeostatic isoform II, holds great promise to develop anticancer drugs with limited side effects. Therefore, the development of in silico models able to predict the activity and selectivity against the desired isoform(s) is of central interest. In this work, we have developed a series of machine learning classification models, trained on high confidence data extracted from ChEMBL, able to predict the activity and selectivity profiles of ligands for human Carbonic Anhydrase isoforms II, IX and XII. The training datasets were built with a procedure that made use of flexible bioactivity thresholds to obtain well-balanced active and inactive classes. We used multiple algorithms and sampling sizes to finally select activity models able to classify active or inactive molecules with excellent performances. Remarkably, the results herein reported turned out to be better than those obtained by models built with the classic approach of selecting an a priori activity threshold. The sequential application of such validated models enables virtual screening to be performed in a fast and more reliable way to predict the activity and selectivity profiles against the investigated isoforms.

Beta-Carbonic Anhydrase 1 from Trichomonas Vaginalis as New Antiprotozoan Drug Target

2021 ◽  
Author(s):  
Claudiu T. Supuran ◽  
Anna Di Fiore ◽  
Seppo Parkkila ◽  
Giuseppina De Simone
Keyword(s):  
Carbonic Anhydrase ◽  
Drug Target ◽  
Trichomonas Vaginalis ◽  
Beta Carbonic Anhydrase ◽  
Carbonic Anhydrase 1

Cerebrovasodilatation through selective inhibition of the enzyme carbonic anhydrase. 2. Imidazo[2,1-b]thiadiazole and imidazo[2,1-b]thiazolesulfonamides

1980 ◽  
Vol 23 (2) ◽  
pp. 117-121 ◽  
Author(s):  
Ian T. Barnish ◽  
Peter E. Cross ◽  
Roger P. Dickinson ◽  
Brian Gadsby ◽  
Michael J. Parry ◽  
...  
Keyword(s):  
Carbonic Anhydrase ◽  
Selective Inhibition

The Caudal -Type Homeobox Protein Cdx-2 Binds to the Colon Promoter of the Carbonic Anhydrase 1 Gene

1996 ◽  
Vol 236 (2) ◽  
pp. 670-681 ◽  
Author(s):  
Felicity Drummond ◽  
Jane Sowden ◽  
Katie Morrison ◽  
Yvonne H. Edwards
Keyword(s):  
Carbonic Anhydrase ◽  
Homeobox Protein ◽  
Carbonic Anhydrase 1

Autoantigenicity of carbonic anhydrase 1 in patients with abdominal aortic aneurysm, revealed by proteomic surveillance

2013 ◽  
Vol 74 (7) ◽  
pp. 852-857 ◽  
Author(s):  
Takashi Ando ◽  
Nobuko Iizuka ◽  
Toshiyuki Sato ◽  
Masahide Chikada ◽  
Manae S. Kurokawa ◽  
...  
Keyword(s):  
Abdominal Aortic Aneurysm ◽  
Aortic Aneurysm ◽  
Carbonic Anhydrase ◽  
Abdominal Aortic ◽  
Carbonic Anhydrase 1
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