Plant Derived Omega 3 Fatty Acid – α Linolenic Acid (ALA) a carboxylic acid with 18 carbon atoms, 3 cis double bonds. ALA obtained from plant based food source is converted into eicosa-pentaenoic acid (EPA) and docosa-hexaenoic acid (DHA). However, the rate of conversion is influenced by dose, gender, and health status. Further, intake of ALA significantly reduces the risk of sudden death among myocardial infarction patients consistent with induced antiarrhythmic effect. ALA is concomitant with cardiovascular-protective, anti-cancer, neuro-protective, anti-osteoporotic, anti-inflammatory, and anti-oxidative properties. ALA has anti-metabolic syndrome that regulates gut-micro-floral functionalities. Clinical trials indicate that ALA can be used in the management of multi-metabolic syndrome effects but in-depth target based ADMET studies are required to ascertain its clinical efficacy and market potential.
Keywords: ADMET; Moringa oleifera; Secondary Metabolites; Natural Products (NPs); Bioactive Substances; Octadecatrienoic acid (ODA); Eicosa-Pentaenoic Acid (EPA); Docosa-Hexaenoic Acid (DHA); Plant Derived Omega 3 Fatty Acid (PDO3FA)
In-silico Computer-Aided Drug Design (CADD) significantly relies on cybernetic screening of Plant Based Natural Products (PBNPs) as a prime source of bioactive compounds/ drug leads due to their unique chemical structural scaffolds and distinct functional characteristic features amenable to drug design and development. In the Post-COVID-Era a large number of publications have focused on PBNPs. Moreover, PBNPs still remain as an ideal source of novel therapeutic agents of GRAS standard. However, a well-structured, in-depth ADME/Tox profile with deeper dimensions of PBNPs has been lacking for many of natural pharma lead molecules that hamper successful exploitation of PBNPs. In the present study, ADMET-informatics of Octadecanoic Acid (Stearic Acid - SA) from ethyl acetate fraction of Moringa oleifera leaves has been envisaged to predict ADMET and pharmacokinetics (DMPK) outcomes. This work contributes to the deeper understanding of SA as major source of drug lead from Moringa oleifera with immense therapeutic potential. The data generated herein could be useful for the development of SA as plant based natural product lead (PBNPL) for drug development programs.
Keywords: Moringa oleifera; Bioactive Substances; Octadecanoic Acid; Stearic Acid; ADME/Tox; Natural Product Based Drug Lead; PBNPs
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