In silico Analysis of Phytochemicals from Coconut against Candidiasis
Sunanya Das
Centurion University of Technology and Management, Odisha, India.
Sushree Saraswati Nayak
Centurion University of Technology and Management, Odisha, India.
Sitaram Swain
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 in sillico analysis was carried out to evaluate the effect of Coconut extract on Candidiasis. Candidiasis is caused by Candidia tropicalis. The phytochemicals of Coconut were interacted with a 2-enoyl-CoA hydratase enzyme involved in Biosynthesis of Unsaturated Fatty Acid metabolic pathway of Candidia tropicalis. 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 an opportunity to identify the potential phytochemical or component which can act as powerful tool against the pathogen. Out of all the phytochemicals, Folic Acid of Coconut inhibits or blocks the mechanism of action of 2-enoyl-CoA hydratase enzyme of Candidia tropicalis. There is high possibility that these phytochemicals can potentially inhibit others enzymes involved in various metabolic pathways of Candidia tropicalis.
Keywords: Phytochemical, biovia discovery studio 2020, coconut, metabolic pathways, candidiasis, Candidia tropicalis.