Synthesis, Antihypertensive Activity, and 3D‐QSAR Studies of Some New p‐Hydroxybenzohydrazide Derivatives

Abstract

p-Hydroxybenzohydrazide 2 on treatment with aromatic/aliphatic aldehyde followed by cyclization with carbon disulphide afforded compounds 4a-4n. Also, compound 2 by treatment of substituted isothiocyanate followed by the treatment of chloroacetic acid yields the corresponding compounds 6a-6i. All the test compounds were assayed for antihypertensive activity by non-invasive blood pressure measurement and invasive blood pressure measurement methods. The test compounds showed significant antihypertensive activity. The intact compounds were subjected to 3D-QSAR studies. The 3D-QSAR analysis was carried out by PHASE program and a statistically reliable model with good predictive power (r(2) = 0.98, q(2) = 0.74) was achieved. The 3D-QSAR plots illustrated insights into the structure-activity relationship of these compounds which may aid in the design of potent p-hydroxybenzohydrazide derivatives as antihypertensive agents.

One‐Pot Synthesis of New Thiadiazolyl‐Pyridines as Anticancer and Antioxidant Agents

“…Substituted 1,3,4-thiadiazoles have attracted considerable interest owing to their wide spectrum biological activity, including antimicrobial, antituberculosis, anesthetic, antithrombotic, anticonvulsant, antihypertensive, anti-inflammatory, and antiulcer activities [1][2][3][4][5]. Moreover, researchers reported 1, 3, 4-thiadiazole derivatives that exhibited anticancer activities with excellent 50% growth inhibitory concentration (IG 50 ) and 50% inhibitory concentration (IC 50 ) [6][7][8][9][10].…”

“…-(1,4-Phenylene)bis(2-amino-6-(5-imino-4-phenyl-4,5dihydro-1,3,4-thiadiazol-2-yl)nicotinonitrile)(10). Brown solid, (69% yield), mp 193-195°C; IR (KBr) ν max 3438 (NH 2 and NH) cm À1 ; MS m/z (%) 662 (M + , 2), 358 (3), 248 (17), 190 (22), 169 (22), 156 (57), 149 (23), 131 (78), 130 (100), 128 (46), 97 (46), 77 (42), 57 (54).…”

Convenient Synthesis and Biological Activity of Mono and Diacyl 2,5‐Dimercapto‐1,3,4‐thiadiazole Derivatives

“…Among several thiadiazole isomers, 1,3,4‐thiadiazoles are the objects of the highest interest and intensive study . Such arrangements exhibit a broad spectrum of biological activity and are used widely in medicine due to their precious antibacterial , antifungal , antituberculosis , anti‐inflammatory , anticonvulsant , anticancer , and antiparasitic activities. 1,3,4‐Thiadiazoles also serve as adenosine/histamine receptor antagonist and antidepressant agents .…”

Molecular modeling studies of human immunodeficiency virus type 1 protease inhibitors using three‐dimensional quantitative structure‐activity relationship, virtual screening, and docking simulations

“…The availability of computational techniques on quantitative structure‐activity relationship (QSAR) might provide a potential direction for accelerating the drug design process. In fact, QSAR can be viewed as a technique attempting to summarize chemical and biological information in a form that allows one to generate relationships between chemical structure and biological activity . The success of a QSAR study depends on the selection of variables (molecular descriptors) and the representation of the information.…”

“…In fact, QSAR can be viewed as a technique attempting to summarize chemical and biological information in a form that allows one to generate relationships between chemical structure and biological activity. 11 The success of a QSAR study depends on the selection of variables (molecular descriptors) and the representation of the information. The 3D-QSAR model would better reflect the interactions between the substrate and receptor than two-dimensional QSAR.…”