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ISSN 2063-5346
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IMPOSING COMPUTATIONAL PHARMACOLOGY ON THE PHYTOCONSTITUENTS OF ARTOCARPUS HETEROPHYLLUS

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Jeane Rebecca Roy, Subashini Thirukkalukundram Singarapriyavardhanan, Coimbatore Sadagopan Janaki, Ponnulakshmi Rajagopal, Selvaraj Jayaraman
» doi: 10.48047/ecb/2023.12.si7.269

Abstract

ArtocarpusheterophyllusLam also known as “Jack Fruit”. Because of its medicinal use, it is widely cultivated across many countries in different varieties. It is rich in various minerals, vitamins, amino acids, etc. that help in various conditions like fever, asthma, bone-related disease, and skin disease. The present study was to find out potent phytochemical constituents of Artocarpusheterophyllus against anti-diabetic disease through Computational pharmacology (CP). The CP was used to reduce time consumption in and cost-effective manner. In this, we use SwissADME for finding physiochemical properties and Pharmacokinetic Properties of the ligand molecules. In addition to toxicity and molecular docking, PROTOX-II and Autodock 4.0.respectively. For this, the structure of the ligand molecules was obtained from PubChem and five proteins (Receptor) were downloaded from RCSB-PDB. All the finalized 13 compounds exhibited potential binding energy against all the targets and the most promising is compound 8(Artonin-A). Thus, the study suggested that screened chemical constituents in Artocarpusheterophyllus can be used as a therapeutic drug molecule in diabetic management.

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