Title of article
Docking and Biological Screening of Bezo[A]phenothiazinones as Novel Inhibitors of Bacterial Peptidogloycan Transpeptidase
Author/Authors
Ibezim, Akachukwu E Department of Pharmaceutical and Medicinal Chemistry - University of Nigeria, Nsukka, NIGERIA , Onoabedje, Efeturi A Department of Pure and Industrial Chemistry - University of University, Nsukka, NIGERIA , Akpomie, Kovo G Department of Pure and Industrial Chemistry - University of University, Nsukka, NIGERIA
Pages
8
From page
243
To page
250
Abstract
Rising cases of antibiotic-resistant bacteria is a public health concern. Many approved antibiotics target penicillin-binding proteins example peptidoglycan transpeptidase (PTPase). Due to wide pharmacological activity of phenothiazines, new styryl, aryl, alkynyl, and thiophenyl benzo[a]phenothiazines were synthesized and their inhibitory potency against PTPasein silico and Gram-positive/Gram-negative bacteria evaluated. The compounds inhibited the activity of PTPase at 18.93 - 75.48 μM and their best-docked poses identified interaction with PTPase Tyr318, His336, and His352. Experimental results agreed with computational predictions and further confirmed the benzo[a]phenothiazines as potential antibiotics. Also, the identified essential residues could be targeted during the rational optimization of the analogs.
Keywords
binding mode , Docking , Peptidoglycan transpeptidase , Antimicrobial , Phenothiazines
Serial Year
2019
Record number
2495944
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