Effective inhibition of Sesbania grandiflora bioactive compounds against C-di-GMP phosphodiesterase of Pseudomonas aeruginosa.

Abstract

Sesbania grandiflora also known as Agasthya has potent antibiofilm activity and its bioactive compounds obtained from the leaves are medicarpin, isoniazid and 4-methyl oxazole. Extra cellular polymeric substances (EPS) created by the bacterium involve the formation of biofilm and this causes the infections such as nosocomial infections, and urinary tract infections. Pseudomonas aeruginosa has been linked with high levels of intracellular Cyclic-di-Guanosine Monophosphate (c-di-GMP; PA4781) in biofilm formation. In this study, Human BLAST analysis of c-di-GMP Phosphodiesterase has been carried out and it shows an insignificant result and it is believed to be a possible drug target for UTI infection caused by P. aeruginosa. Its protein structure was retrieved from PDB database which was subjected to molecular docking against S. grandiflora bioactive compounds and control drug ciprofloxacin. Compounds taken for the study were screened for ADMET properties and drug-likeliness properties. Molecular interaction analysis of c-di-GMP with medicarpin compound shows -6.75 Kcal/mol binding energy with two hydrogen bonds when compared to the control drug with -6.86 kcal/mol binding energy and two hydrogen bonds respectively. Hence, our findings in the current study suggest that medicarpin could be an inhibitor of c-di-GMP and possess anti-biofilm activity, which could be validated experimentally.