Quantitative structure–activity relationship (QSAR) studies on a series of 1,3,4-thiadiazole-2-thione derivatives as tumor-associated carbonic anhydrase IX inhibitors

Abstract

A linear quantitative structure -activity relationship (QSAR) study that encodes various aspects of physicochemical, topological and electronic descriptors has been developed for a series of 1,3,4-thiadiazole-2-thione derivatives (1a-r and 2a-c).The carbonic anhydrase IX inhibitory activity of the candidates under study (1a-r and 2a-c) were correlated to the selected parameters using stepwise linear regression analyses to achieve the best QSAR model. Promising results were obtained with the employed tetra-parametric model indicating that the information approach used in the present investigation is quite useful for modeling carbonic anhydrase IX inhibitors.

Synthesis and antifungal activity of novel 5‐substituted 4‐(1,3,4‐thiadiazol‐2‐yl)benzene‐1,3‐diols

“…The structure-activity analysis shows that from amino-1,3,4-thiadiazole group (1-5) the compound with CF 3 -substituent acts more intense than with CH 3 -substituent and 4-biphenyl derivative (3) than naphthalen-1-yl derivative (4). The compound with the tertiary amine group (5) exhibits the weakest antifungal properties.…”

3-Hydrazinoindolin-2-one derivatives: Chemical classification and investigation of their targets as anticancer agents

“…The first trial for synthesize and biological evaluation of these class of compounds as anticancer was elucidated by Abdel-Hamid et al [60,61]. In these researches, a …”

Base‐Promoted Three‐Component Cyclization and Coupling Strategy for the Synthesis of Substituted 3‐Aryl‐5‐thio‐1,3,4‐thiadiazole‐2‐thiones

“…For example, acetazolamide (I) is a well‐known carbonic anhydrase inhibitor in the market, [10] and MI‐D (II) is a potent drug against human melanoma cells (Figure 1). [11] Drugs like methazolamide (III), [12] compound (IV), [13] megazol (V) [14] and BAS0338872 (VI) [15] are also important 1,3,4‐thiadiazole derivatives. In addition, 1,3,4‐thiadiazoles can also be used in the fields of optics and electrochemistry because of their good electron‐accepting ability as well as thermal and chemical stability [16]…”