GC-MS fingerprinting and in silico molecular interaction of antioxidant agents from A. malabarica as tyrosinase inhibitors
| Autor: | Gnanaselvan Suvathika, Alagar Yadav Sangilimuthu, Manoharan Sowmya Priya, Arumugam Shanmugapriya, Krishnan Abinaya |
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| Rok vydání: | 2022 |
| Předmět: | |
| Zdroj: | Research Journal of Biotechnology. 17:100-110 |
| ISSN: | 2278-4535 0973-6263 |
| DOI: | 10.25303/1712rjbt1000110 |
| Popis: | Free radicals are generated by the chemical reaction of oxidation and they set off chain reactions that damage cells. In this study, the antioxidant activity of Anisomeles malabarica methanolic leaves extract were examined by DPPH and ABTS radical scavenging assays (in vitro). Molecular docking (in silico) using SeeSAR-9.2 was performed to find out the possible antioxidant phytoconstituents that inhibit the tyrosinase receptor (3NM8) from A. malabarica. Physicochemical and ADMET properties of phytocompounds were evaluated using StarDrop software. About 6 phytoconstituents were identified from A. malabarica methanolic leaves extract by using GC-MS analysis. DPPH and ABTS free radical scavenging activities of leaves extract reveal dose dependent and IC50 values of 81.28 ± 0.02 and 81.49 ± 0.15 μg/ml and the standard L-ascorbic acid showed 52.19 ± 0.05 and 66.46 ± 0.23 μg/ml respectively. Molecular docking studies report that 2,5-ditert-butylphenol and phytol had stronger binding efficiency on tyrosinase enzyme. Physicochemical and ADMET analysis of phytocompounds showed that 2,5-ditert-butylphenol had higher druglikeness properties. |
| Databáze: | OpenAIRE |
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