Bioprospecting of aqueous phase from pyrolysis of plant waste residues to disrupt MRSA biofilms.

Methicillin resistant Staphylococcus aureus (MRSA) infections have increased at an alarming rate, recently. In India, stubble burning and air pollution due to the burning of agricultural and forest residues have also increased over the past decade causing environmental and health hazards. This work evaluates the anti-biofilm property of the aqueous phase obtained from pyrolysis of wheat straw (WS AQ) and pine cone (PC AQ) against an MRSA isolate. The WS AQ and PC AQ compositions were determined by GC-MS analysis. The minimum inhibitory concentration was found to be 8% (v v-1) and 5% (v v-1) for WS AQ and PC AQ, respectively. The eradication of biofilms was performed on hospital contact surfaces namely, stainless steel and polypropylene and found to be 51% and 52% for WS AQ and PC AQ, respectively. Compounds identified from the aqueous phase of WS and PC docked against AgrA protein showed good binding scores.

Waste to drugs: identification of pyrolysis by-products as antifungal agents against Cryptococcus neoformans.

The fungi, Cryptococcus neoformans cause major infections such as cryptococcal meningitis and cryptococcosis. Therefore, we explored the use of Thioredoxin reductase (Trr1) from C. neoformans as a gene target for the development of novel antifungal agents. Trr1 plays an essential role in the survival in the oxidative environment of macrophages and is important for the virulence of C. neoformans. During the thermochemical conversion (pyrolysis) of lignocellulosic biomass (LCB), a cocktail of compounds is produced by the decomposition and degradation. In general, LCB-derived cocktail of compounds is a rich source of aromatic compounds that have been shown to be antifungal in nature. Usually, the aqueous phase produced during biomass pyrolysis is generally regarded as waste. Here, we used Parthenium hysterophorus biomass as the antifungal source and obtained the aqueous phase after pyrolysis. Using GC-MS analysis of the aqueous phase collected from P. hysterophorus biomass revealed the presence of a large number of aromatic and organic compounds. Using virtual screening, the compounds present in the aqueous phase were docked against Trr1 using GLIDE. Two promising candidates were analyzed further by performing molecular dynamics simulation using GROMACS, to establish stable interactions. We validated the computational results with clustering analysis. We report that 2,4-Di-tertbutyl phenol and 1H-Pyrazole, 4-ethyl-3,5-dimethyl have a potent antifungal property and we postulate that they could be a potent antifungal agent against Trr1 of C. neoformans.