Abstract

Phytochemicals from Buddleja asiatica plant extract are traditionally used to cure skin diseases. It is caused by Staphylococcus aureus. Molecular docking method applied using “Biovia Discovery Studio”. “High positive values of -CDOCKER energy and -CDOCKER interaction energy” suggested that lignoceric acid can effectively deactivate the L-lactate dehydrogenase enzyme thereby interrupting the life cycle of the organism.

Highlights

  • Secondary metabolites can be derived from various parts of plants

  • -CDOCKER energy was calculated based on the internal ligand strain energy and receptor-ligand interaction energy. -CDOCKER interaction signifies the energy of the nonbonded interaction that exists between the protein and the ligand

  • The molecular docking interaction was performed to identify the phytochemicals (α -amyrin, apigenin, lignoceric acid, B-caryophyllene oxide, Stigmasterol) which can have a significant interaction with the vital enzyme (L- lactate dehydrogenase) of the Staphylococcus aureus

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Summary

Introduction

Secondary metabolites can be derived from various parts of plants. Different traditional plantsPlants have a major source of herbal medicine and their bioactive compound have shown anti-[1]. Secondary metabolites can be derived from various parts of plants. Plants have a major source of herbal medicine and their bioactive compound have shown anti-. The medicinal properties of the plants is due microbial activity [2]. These traditional plants play to the secondary metabolites present in it. Patra et al.; JPRI, 32(8): 117-120, 2020; Article no.JPRI.57269 many people depend on the use of traditional medicine because of less side effect [3]. B. asiatica extract is used to cure disease like skin diseases

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