Assessment of Bioactivity of Homalomena aromatica Essential Oil from Northeast India through Combinative in vitro and in silico Approaches.

Abstract

Homalomena aromatica Schott is a valuable medicinal aromatic plant having wide range of applications in ethnobotany, pharmacology, perfumery and flavor industry. The present study is subjected to assess anti-inflammatory, anti-diabetic, tyrosinase inhibitory, acetylcholinesterase (AChE), antimicrobial, and genotoxic efficacies of H. aromatica rhizome essential oil (HAEO). To validate the findings of biological assays, in-silico methods including PASS tool, target prediction and molecular docking were employed.The chemical profiling was performed using GC/MS where HAEO yield was 1.09±0.641% (v/w) with 12 compounds where linalool was identified as major compound (76.29%). Anti-inflammatory activity showed IC50 value for protease inhibitor 19.59 µL/mL and albumin denaturation assay 32.16 µL/mL. Tyrosinase inhibitory activity showed 73.62 µL/mL. Acetylcholinesterase inhibitory (AChEase) activity revealed an IC50 value of 38.13 µL/mL. Antimicrobial activity showed MIC values of 10±0.47µg/mL, and 45±0.47µg/mL against S.aureus and C.albicans. Genotoxicity analysis showed HAEO has moderate toxic effect. In-silico results identified six potential targets via swiss target prediction: (ACHE, CYP51, PPAR, COX-2 and TYRP1). Additionally, molecular docking studies revealed Linalool -7.4 kcal/mol, Spathulenol -8.5 kcal/mol, Aromadendrene oxide-(2) -8.3 kcal/mol better docking scores. For the first time, this study reports on anti-diabetic, anti-tyrosinase, acetylcholinesterase inhibitory activities and genotoxicity of HAEO.