Synthesis, antibacterial and molecular docking studies of new benzimidazole derivatives

Abstract

a b s t r a c tThe new analogs of benzimidazole fused heterocyclic compounds such as triazinane and oxadiazinanes were synthesised by classical amino methylation with different aryl-N,N 0 unsymmetrical thioureas. The antibacterial activity of triazinane and oxadiazinane compounds have been assessed with zone of inhibition by well diffusion method using a panel of selected gram positive and gram negative bacterial strains and which have showed good activity. The synthesised molecules were subjected to molecular docking studies with two proteins, namely topoisomerase II (PDB ID: 1JIJ) and DNA gyrase subunit b (PDB ID : 1KZN). The molecular docking studies are supporting the antibacterial activity exhibiting high inhibition constant and binding energy. Ó 2017 Mansoura University. Production and hosting by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).

Synthesis and Antibacterial Evaluation of New2‐Phenylbenzimidazole Derivatives

“…Other heterocycles, such as pyrazole and 1,2,3‐triazole have also been reported to possess different degrees of antibacterial activity. Moreover, some functional groups like thiourea, urea, azo, and hydrazone or acyl hydrazone were reported to exert antibacterial activity against different bacterial strains.…”

Introductory Chapter: Molecular Docking and Molecular Dynamics Techniques to Achieve Rational Drug Design

“…This chapter is distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/ by/3.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. [8][9][10][11], antibiotics agents against Escherichia coli [12][13][14], Pseudomonas aeruginosa [14][15][16], Staphylococcus aureus [13,14,[16][17][18][19], Bacillus cereus [13,16], Klebsiella pneumoniae [13], or others.…”

Synthesis, Molecular Docking Studies and Antimicrobial Activity of Mannich Bases of Thiazolidine-2,4-Diones

“…The enzyme was prepared for docking studies involves i) ligand molecule was removed from the enzyme active site. ii) Hydrogen atoms were added to the structure with their standard geometry iii) The obtained model was used in predicting the ligand enzyme interaction at the active site [12][13][14][15] .…”