Suhail Mohammed Hussain*
Department of Microbiology & Biotechnology, Bangalore University, Jnana Bharathi Campus, Bangalore – 560 056, Karnataka, India.
A B S T R A C T
Homoeopathic floras have been a valuable and immense source of therapeutic drugs for eras and still numerous of currently used drugs are plant-derived natural products or their derivatives. A well accepted scientific consensus emanating from several scientific investigations is that different plant extracts contains high levels of antioxidants polyphenols including isoflavones. This work had two objectives: the first, to evaluate the Antioxidant activity of Andira inermis leaf extracts by DPPH free radical method and second, to assess for drug likeness properties, bioactivity score, ADME/T profiles, and health effects of its six isolated isoflavones by using bioinformatics tools. The dose dependent scavenging was observed at concentrations 20, 40, 60, 80 and 100 µg/ml, which were compared to ascorbic acid. The result shows that ethyl acetate extract having good antioxidant activity when compared to methanol extract and ascorbic acid. The six isolated compounds were tested for pharmacokinetic profiles and biological activities using various improved generation chemoinformatics and bioinformatics tools and the result shows that all the compounds were obeying Lipinski’s RO5 and having good pharmacokinetics profile with many pharmacological activities, thus this work findings provide evidence that the crude ethyl acetate extract of Andira inermis is a potential source of natural antioxidants, and the isolated compounds were potential pharmacophres thus, combination of computational approach and experimental analysis provides efficient, cost effective and time saving pathway for Drug discovery.
Keywords: Andira inermis, Antioxidants, DPPH scavenging assay, Isoflavones, ADMET, pharmacokinetics, drug discovery.