One pot Click chemistry: A three component reaction for the synthesis of 2-mercaptobenzimidazole linked coumarinyl triazoles as anti-tubercular agents.
2-Propargylthiobenzimidazole 1, 4-bromomethyl coumarins/1-aza-coumarins 2/3 and sodium azide have been reacted in one pot under Click chemistry conditions to give exclusively 1,4-disubstituted triazoles 5a-n. Anti-tubercular assays against M. tuberculosis (H37Rv) coupled with in silico molecular docking studies indicated that dimethyl substituents 5c and 5d showed promising activity with higher C-score values.
Department of Studies in Chemistry, Karnatak University, Pavate Nagar, Dharwad 580003, Karnataka, India.
Ashish
A
Anand
Department of Studies in Chemistry, Karnatak University, Pavate Nagar, Dharwad 580003, Karnataka, India. Electronic address: manohar274@gmail.com.
Manohar V
MV
Kulkarni
Novel Drug Design and Discovery Laboratory, Department of Pharmaceutical Chemistry, S.E.T's College of Pharmacy, Sangolli Rayanna Nagar, Dharwad 580002, Karnataka, India.
Shrinivas D
SD
Joshi
Novel Drug Design and Discovery Laboratory, Department of Pharmaceutical Chemistry, S.E.T's College of Pharmacy, Sangolli Rayanna Nagar, Dharwad 580002, Karnataka, India.
Sheshagiri R
SR
Dixit
D000995:Antitubercular Agents / Q000737:chemistry*; D001562:Benzimidazoles / Q000737:chemistry*; D057930:Click Chemistry; D062105:Molecular Docking Simulation; D014230:Triazoles / Q000737:chemistry*
D000995:Antitubercular Agents; D001562:Benzimidazoles; D014230:Triazoles; C030698:2-mercaptobenzimidazole
1,2,3-Triazoles; 2-Mercaptobenzimidazole; 2H-Chromen-2-one; Anti-tubercular; Molecular docking; One pot Click reaction; Surflex-Dock