Naturally Occurring Green Tea Polyphenols as Anti-Mycobacterial Agents

Tuberculosis (TB) is a global health burden especially in tropical countries. Extensive increments MDR (Multidrug resistance (MDR): Resistance to at least both isoniazid and rifampicin.) XDR (Extensive drug (XDR): any fluoroquinolone, one of three second-line injectable drugs (capreomycin, kanamycin, amikacin), addition multidrug resistance) tuberculosis highlights the ineffectiveness established anti-TB agents. There an urgent necessity identify potent agents with unique mechanisms. Green tea Black polyphenols have great potential inhibit viruses including SARS-COV-2, bacterial strains, etc. In this context, we screened identified 65 bioactive compounds against four mycobacterial pantothenate synthetase enoyl acyl carrier enzymes. Our molecular docking results revealed that Theaflavin-3-gallate had higher binding affinity 2X22 3IVX targets scores −134.13 −135.592 Kcal/mol, respectively. Furthermore, our dynamics simulations for 10 ns resulted better stabilities these complexes. We also evaluated silico drug-likeness toxicity profiles studied polyphenols. analysis suggested would exhibit lesser such as eye corrosion, skin irritations, Thus, present study provide insights on studying naturally occurring