Abstract

A PHARMACO-INFORMATIC APPROACH TO EXPLORE ANTIDOTE ACTIVITY OF MODIFIED METHIONINE AGAINST HEAVY METAL POISONING: DOCKING STUDIES

Navina Govintharaju*

ABSTRACT

This study is aimed at the extraction of pectin from Bambusa tulda as novel source for pectin and modifying the isolated pectin molecule with methionine to explore its enhanced antidote potential against heavy metal poisoning. The modified pectin (rhamnose) with methionine was characterized by LC-MS and XRD techniques. Then, the rhamnose was modified with methionine and the modified rhamnose was docked with important specific different kinds of proteins that were present in the different organs of the human body affected by HM toxicity using the Pyrx docking tool and results were analyzed by Biovia discovery studio software. After the obtained results, found that B. tulda was also a significant source for producing pectin, and more importantly, modified pectin-rhamnose sugar has enhanced antidote potential against HM toxicity which has beenconfirmed by docking studies.

Keywords: B. tulda, heavy metal poisoning, antidote, chelation, modification of pectin (rhamnose), LC-MS, XRD, docking studies, ADMET prediction.