Assessment of phytocompounds and antioxidants of in-silico ADMET of plant derived potential inhibitory activity of Andrographis paniculated to managed beta thalassemia

SOUMYA KHARE; TANUSHREE CHATTERJEE

Authors

SOUMYA KHARE Department of Biotechnology, Raipur Institute of Technology, Raipur, India
TANUSHREE CHATTERJEE Department of Biotechnology, Raipur Institute of Technology, Raipur, India

Keywords:

Beta thalassemia, Andrographis paniculated, phytocompounds, ADMET

Abstract

Medicinal plants have been exploited for therapeutic purposes since the dawn of civilization and have long been acknowledged essential to humanhealth. The purpose of this research is to examine the scientific evidence for using the therapeutic herbal plants Andrographis paniculated to managed beta thalassemia illness. The fundamental explanation for the therapeutic relevance of these plants is phytocompounds, which were evaluated qualitatively and quantitatively in three separate extracts with different solvent properties (methanol, chloroform, hexane, ethyl acetate and aqueous) as one of the bases of traditional use. Flavonoids, phenols, tannins, saponins, and alkaloids were all evaluated for their presence in plant extracts, and it was observed that ethanol extract had the highest content of phytocompounds among different extracts whereas, the chloroform extract showed least amount of phytocompounds. Additionally, the antioxidant activity of this plant was also evaluated and methanolic extract was revealed with potential antioxidant activity, as also evidenced by the lowest half inhibitory concentration (IC50) values in the DPPH. The ADMET and drug-likeness properties of bioactive compounds from Andrographis panicluata were evaluated using the SwissADME . The present study chose and screened phytocopounds DL-alphatocopherol, 3,19-O-diacetylanhdroandrographolide, and 14-acetylandrographolide are projected to have better drug-like qualities with improved toxicity profiles based on chemical attributes, drug-likeness score, and ADMET model. Thus, the molecules identified in this study are having profound biological properties and hence worth forwarding them to the in vivo analysis of drug suitability.

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