title: Sulfur rich 2-mercaptobenzothiazole and 1,2,3-triazole conjugates as novel antitubercular agents.
abstract: A series of benzfused heterocyclic derivatives such as amide conjugates of 2-(benzo[d]thiazol-2-ylthio)acetic acid with aromatic/aliphatic/cyclic secondary amines (5a-5o & 8a-8m); 1,2,3-triazole conjugates of 2-mercaptobenzothiazoles and amide conjugates of indole-3-glyoxalic acid with cyclic secondary amines (14a-14g) have been synthesized and were screened for their antitubercular activity against Mycobacterium tuberculosis H37Rv strain by broth microdilution assay method. Compounds 8b, 8f, 8g and 8l inhibited the growth of the H37Rv strain at concentrations of 8 μg/mL. These compounds (8b, 8f, 8g and 8l) have been further identified as bactericidal and are completely killing the microbes at 32-64 μg/mL concentrations. Molecular docking studies of the active compounds reveal that these compounds are targeting DprE1 and may act as DprE1 inhibitors.
authors.affiliation: Department of Chemistry, Faculty of Science, Jamia Hamdard, Hamdard Nagar, New Delhi 110062, India.
authors.forename: Fauzia
authors.initials: F
authors.lastname: Mir
authors.affiliation: Department of Chemistry, Faculty of Science, Jamia Hamdard, Hamdard Nagar, New Delhi 110062, India. Electronic address: syedshafi@jamiahamdard.ac.in.
authors.forename: Syed
authors.initials: S
authors.lastname: Shafi
authors.affiliation: Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Jamia Hamdard, Hamdard Nagar, New Delhi, India.
authors.forename: M S
authors.initials: MS
authors.lastname: Zaman
authors.affiliation: Clinical Microbiology Division, IIIM-Jammu, Jammu & Kashmir 180 001, India.
authors.forename: Nitin Pal
authors.initials: NP
authors.lastname: Kalia
authors.affiliation: Clinical Microbiology Division, IIIM-Jammu, Jammu & Kashmir 180 001, India.
authors.forename: Vikrant S
authors.initials: VS
authors.lastname: Rajput
authors.affiliation: Department of Biosciences, Sri Satya Sai Institute of Higher Learning, Anantapur Campus, 515001, India.
authors.forename: Chaitanya
authors.initials: C
authors.lastname: Mulakayala
authors.affiliation: Institute of Lifesciences, University of Hyderabad Campus, Gachibowli, Hyderabad 500046, India.
authors.forename: Naveen
authors.initials: N
authors.lastname: Mulakayala
authors.affiliation: Clinical Microbiology Division, IIIM-Jammu, Jammu & Kashmir 180 001, India. Electronic address: iakhan@iiim.res.in.
authors.forename: Inshad A
authors.initials: IA
authors.lastname: Khan
authors.affiliation: Department of Chemistry, Faculty of Science, Jamia Hamdard, Hamdard Nagar, New Delhi 110062, India.
authors.forename: M S
authors.initials: MS
authors.lastname: Alam
mesh_terms: D000995:Antitubercular Agents / Q000494:pharmacology*; D052160:Benzothiazoles / Q000737:chemistry / Q000494:pharmacology*; D009682:Magnetic Resonance Spectroscopy; D008826:Microbial Sensitivity Tests; D062105:Molecular Docking Simulation; D009169:Mycobacterium tuberculosis / Q000187:drug effects*; D021241:Spectrometry, Mass, Electrospray Ionization; D013455:Sulfur / Q000032:analysis*
chemical_list: D000995:Antitubercular Agents; D052160:Benzothiazoles; C005563:captax; D013455:Sulfur
keywords: 1,2,3-Triazole; Antitubercular activity; Bactericidal; Benzothiazole; H37Rv; Indole-3-glyoxalic acid