In silico ANALYSIS OF PHYTOCHEMICALS FROM NEEM LEAVES AGAINST SHIKIMATE DEHYDROGENASE OF Mycobacterium tuberculosis CAUSING TUBERCULOSIS
SUNANYA DAS
Centurion University of Technology and Management, Odisha, India.
SARTHAK SIDDHANT MISHRA
Centurion University of Technology and Management, Odisha, India.
TAPASWINI SWAIN
Centurion University of Technology and Management, Odisha, India.
IPSITA MISHRA *
Centurion University of Technology and Management, Odisha, India.
DIPANKAR BHATTACHARYAY
Centurion University of Technology and Management, Odisha, India.
*Author to whom correspondence should be addressed.
Abstract
This analysis aims at evaluating the effects of neem (Azadirachta indica) leaves extract on tuberculosis. Tuberculosis is caused by Mycobacterium tuberculosis. Tuberculosis is a common and severe infection that occurs worldwide. This infection in human leads toward an unhealthy life. The phytochemicals of Neem leaves have interacted with Shikimate dehydrogenase enzyme involved in Threonine metabolic pathway of M. tuberculosis. The enzyme was taken as receptor and phytochemicals were considered as ligands. All the interactions were done in Biovia discovery Studio 2020 and the process is known as molecular Docking. Molecular Docking provides us with an opportunity to identify the potential phytochemical or component which can act as a powerful tool against the pathogen. Out of all the phytochemicals, glutamic acid and oleic acid of neem leaves inhibit or blocks the mechanism of action of shikimate dehydrogenase enzyme of M. tuberculosis. There is a high possibility that these phytochemicals can potentially inhibit other enzymes involved in various metabolic pathways of M. tuberculosis. This study will give a clear picture about the discovery of new drugs for the upliftment and betterment of society.
Keywords: Phytochemical, biovia discovery studio 2020, neem leaves, metabolic pathways, tuberculosis, Mycobacterium tuberculosis.