Naturally occuring Green tea polyphenols as anti-mycobacterial agents

Tuberculosis is a global health burden especially in tropical contries. Extensive increaments in MDR and XDR tuberculosis points out ineffectiveness of established anti-Tb agents. There is urgent necessity to find our potent anti-Tb agents with unique mechanisms. Green tea and Black tea polypgenols have great potential to inhibit viruses including SARS-COV-2, bacterial strains, etc. In this context, we have screened and elucidated 30 Green tea and black tea polyphenols against mycobacterial pantothenate synthetase and enoyl acyl carrier enzymes. Our molecular docking results revealed that Epigallocatechin gallete had higher binding affinity against 2X22 and 3IVX targets with docking scores of -185 and -190 Kcal/mol. Furthermore, our molecular docking simulation for 10 ns resulted better stability of these complexes. We have also evaluated in-silico drug-likeness and toxicity profiles for studies polyphenols. Our in-silico toxicity analysia suggested that these polyphenols would exhibit lesser toxicity like eye corrosion, skin irritations, etc.Thus, our present study would provide better insights for studying naturally occuring polyphenols as potential anti-Tb agents.