02183nas a2200193   4500008004100000245018300041210006900224260000800293300001000301490000800311520144600319100001701765700001401782700001501796700002201811700002001833700001701853856011901870       2018                        eng d00aFacile one-pot multicomponent synthesis and molecular docking studies of steroidal oxazole/thiazole derivatives with effective antimicrobial, antibiofilm and hemolytic properties0 aFacile onepot multicomponent synthesis and molecular docking stu  cJUN  a22-360 v1343 aA series of steroidal oxazole and thiazole derivatives have been synthesized employing thiosemicarbazide/semicarbazide hydrochloride and ethyl 2-chloroacetoacetate with a simple and facile one-pot multicomponent reaction pathway. The antimicrobial activity of newly synthesized compounds were evaluated against four bacterial strains namely Gram-negative (Escherichia coli and Pseudomonas aeruginosa) and Gram-positive bacteria (Staphylococcus aureus and Listeria monocytogenes) in addition to pathogenic fungi (Candida albicans and Cryptococcus neofonnans). Bioactivity assay manifested that most of the compounds exhibited good antimicrobial activity. To provide additional insight into antimicrobial activity, the compounds were also tested for their antibiofilm activity against S. aureus biofilm. Moreover, molecular docking study shows binding of compounds with amino acid residues of DNA gyrase and glucosamine-6-phosphate synthase (promising antimicrobial target) through hydrogen bonding interactions. Hemolytic activity have been also investigated to ascertain the effect of compounds over RBC lysis and results indicate good prospects for biocompatibility. The expedient synthesis of steroidal heterocycles, effective antibacterial and antifungal behavior against various clinically relevant human pathogens, promising biocompatibility offer opportunities for further modification and potential applications as therapeutic agents.1 aAnsari, Anam1 aAli, Abad1 aAsif, Mohd1 aRauf, Mohd, Ahmar1 aOwais, Mohammad1 aShamsuzzaman  uhttps://library.ncl.res.in/content/facile-one-pot-multicomponent-synthesis-and-molecular-docking-studies-steroidal