title: Synthesis and in silico studies of pyrrolidine sulfonamide based dipeptides as β-gluscosidase inhibitors.
abstract: A series of novel pyrrolidine sulfonamide derivatives were designed, synthesized and screened in silico for their β-gluscosidase inhibitory activity. The results showed that the pyrrolidine derivatives exhibited moderate inhibitory activity against human β-gluscosidases inhibitors. The structure-activity relationships were also briefly discussed. The studies indicated that compounds of Series B with imidazole sulfonyl group were the most potent inhibitors compared to the other compounds under investigation.
authors.affiliation: Department of Chemistry, Sri Krishnadevaraya University, Etukalapally Anantapur, A.P. 515005, India. Electronic address: besantosh1985@gmail.com.
authors.forename: B
authors.initials: B
authors.lastname: Santosh Kumar
authors.affiliation: Faculty of Science and Technology, ICFAI Foundation for Higher Education, Hyderabad, A.P., India.
authors.forename: A
authors.initials: A
authors.lastname: Raghavendra Guru Prasad
authors.affiliation: Aditya College of Engineering, Madanapally, A.P., India.
authors.forename: G
authors.initials: G
authors.lastname: Madhu
authors.affiliation: Department of Chemistry, Sri Krishnadevaraya University, Etukalapally Anantapur, A.P. 515005, India.
authors.forename: P
authors.initials: P
authors.lastname: Raveendra Reddy
authors.affiliation: Department of Chemistry, Sri Krishnadevaraya University, Etukalapally Anantapur, A.P. 515005, India.
authors.forename: L K
authors.initials: LK
authors.lastname: Ravindranath
mesh_terms: D003198:Computer Simulation; D004151:Dipeptides / Q000138:chemical synthesis* / Q000494:pharmacology*; D015195:Drug Design; D004791:Enzyme Inhibitors / Q000138:chemical synthesis* / Q000494:pharmacology*; D006801:Humans; D006860:Hydrogen Bonding; D007202:Indicators and Reagents; D008958:Models, Molecular; D011759:Pyrrolidines / Q000138:chemical synthesis* / Q000494:pharmacology*; D013329:Structure-Activity Relationship; D013449:Sulfonamides / Q000138:chemical synthesis* / Q000494:pharmacology*; D001617:beta-Glucosidase / Q000037:antagonists & inhibitors*
chemical_list: D004151:Dipeptides; D004791:Enzyme Inhibitors; D007202:Indicators and Reagents; D011759:Pyrrolidines; D013449:Sulfonamides; D001617:beta-Glucosidase
keywords: Docking; Dérivés sulfonyl pyrrolidine; Fitness score; Gold; Score de fitness; Sulfonyl pyrrolidine derivatives; β-gluscosidase