title: Synthesis, preliminary biological evaluation and molecular modeling of some new heterocyclic inhibitors of TACE.
abstract: Central heteroaryl ring analogues belonging to a series of potent hydroxamate TACE inhibitors were synthesized. The TACE inhibitory activities of these compounds were evaluated by in vitro WBA and in silico molecular modeling studies using crystal structure of human TACE. Compound 14 showed very good in vitro inhibition, supported by the in silico docking studies.
authors.affiliation: Organic Synthesis Division, Sun Pharma Advanced Research Company Ltd, Tandalja, Vadodara 390012, Gujarat, India.
authors.forename: Prabal
authors.initials: P
authors.lastname: Sengupta
authors.forename: Chetan S
authors.initials: CS
authors.lastname: Puri
authors.forename: Hemant A
authors.initials: HA
authors.lastname: Chokshi
authors.forename: Chetana K
authors.initials: CK
authors.lastname: Sheth
authors.forename: Ajay S
authors.initials: AS
authors.lastname: Midha
authors.forename: Trinadha Rao
authors.initials: TR
authors.lastname: Chitturi
authors.forename: Rajamannar
authors.initials: R
authors.lastname: Thennati
authors.forename: Prashant R
authors.initials: PR
authors.lastname: Murumkar
authors.forename: Mange Ram
authors.initials: MR
authors.lastname: Yadav
mesh_terms: D051722:ADAM Proteins / Q000037:antagonists & inhibitors* / Q000737:chemistry / Q000378:metabolism; D000072198:ADAM17 Protein; D060326:Chemistry Techniques, Synthetic; D055808:Drug Discovery; D006801:Humans; D006877:Hydroxamic Acids / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D008958:Models, Molecular; D011480:Protease Inhibitors / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D011487:Protein Conformation; D014409:Tumor Necrosis Factor-alpha / Q000037:antagonists & inhibitors
chemical_list: D006877:Hydroxamic Acids; D011480:Protease Inhibitors; D014409:Tumor Necrosis Factor-alpha; D051722:ADAM Proteins; D000072198:ADAM17 Protein; C000606462:ADAM17 protein, human