Cancer continues to have overwhelming impacts on human health and the development of new chemotherapeutics. Molecular hybridization has thus been valued as a structure-based drug design approach drugs with enhanced efficacy. Herein, we report multistep synthesis quinoline–2-mercapto-1,3,4-oxadiazole conjugates their cytotoxicity evaluation. Compound 4j 2-[(5-bromopentyl)thio]-5-[(quinolin-8-ylo...

Cardiac glycosides are group of natural products found to be effective against various cancers. The aim of this study is to propose a binding mode for different conformation of cardiac glycoside analogues to Na, K ATPase pump which is an important target for various cancer cell lines. Quantitative structure activity relationships model were developed with the cytotoxic activity (Expt. IC50) of ...

A new series of theophylline analogues containing 1,2,3-triazoles with different amide groups (22–41) has been designed and synthesized, and their biological activities have been evaluated as potential anticancer agents. The anticancer activities of the synthesized compounds were studied in four cancer cell lines viz. lung (A549), colon (HT-29), breast (MCF-7) and melanoma (A375). Furthermore, ...

This study was performed to find the selective chemical features for Aurora kinase-B inhibitors using the potent methods like Hip-Hop, virtual screening, homology modeling, molecular dynamics and docking. The best hypothesis, Hypo1 was validated toward a wide range of test set containing the selective inhibitors of Aurora kinase-B. Homology modeling and molecular dynamics studies were carried o...

A series of 3-alkoxy-4-methanesulfonamido acetophenone derivatives were synthesized and evaluated for their anti-inflammatory activity in carrageenan-induced rat paw edema model. The synthesized compounds were also investigated for their gastric ulcerogenic potential. The compounds 4a, 4c and 4d showed comparable anti-inflammatory activity to rofecoxib and indomethacin, the standard drugs taken...

In this study, one novel N-pyrrolyl carboxylic acid (3), the corresponding hydrazide (5), and four new hydrazide-hydrazones (5a-d) bearing electron donating moieties were designed, synthesized, fully elucidated by 1H NMR, FT-IR, HRMS. The produced in five steps, which optimized applying microwave heating. microwave-assisted synthesis significantly decreased reaction times increased yields of ti...