In silico Analysis of Phytochemicals from Neem Leaves against Sterol 14-alpha Demethylase of Microsporum sp Causing Skin Disease
Sunanya Das
Centurion University of Technology and Management, Odisha, India.
Rama Kanta Sahoo
Centurion University of Technology and Management, Odisha, India.
Prateet Banajyotshna Sahoo
Centurion University of Technology and Management, Odisha, India.
K. V. D. Prakash
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 leaves extract on Skin disease. Skin disease is caused by Microsporum sp. The phytochemicals of Neem leaves were interacted with sterol 14-alpha demethylase enzyme involved in sterol biosynthesis metabolic pathway of Microsporum sp. Sterol 14-alpha demethylase was taken as receptor and phytochemicals present in Neem leaves 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 an opportunity to identify the potential phytochemical or component which can act as powerful tool against the pathogen. Out of all the phytochemicals, Glutamic acid and Oleic Acid of Neem leaves inhibits or blocks the mechanism or action of sterol 14-alpha demethylase enzyme of Microsporum sp. There is high possibility that these phytochemicals can potentially inhibit others enzymes involved in various metabolic pathways of Microsporum sp.
Keywords: Phytochemical, biovia discovery studio 2020, neem leaves, metabolic pathways, skin disease, Microsporum sp.