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Journal of Drug Delivery and Therapeutics ; 12(4-s):101-111, 2022.
Article in English | CAB Abstracts | ID: covidwho-2056786


In-silico Computer-Aided Drug Design (CADD) often comprehends virtual screening (VS) of datasets of natural pharmaco-active compounds for drug discovery protocols. Plant Based Natural Products (PBNPs) still, remains to be a prime source of pharmaco-active compounds due to their unique chemical structural scaffolds and functionalities with distinct chemical characteristic feature from natural source that are much acquiescent to drug metabolism and kinetics. In the Post-COVID-Era number of publications pertaining to PBNPs and publicly accessible plant based natural product databases (PBNPDBs) has significantly increased. Moreover, PBNPs are important sources of inspiration or starting points to develop novel therapeutic agents. However, a well-structured, indepth ADME/Tox profile of PBNPs has been limited or lacking for many of such compounds, this hampers the successful exploitation of PBNPs by pharma industries. Absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties play key roles in the discovery/ development of drugs, pesticides, food additives, consumer products, and industrial chemicals. In the present study, ADMET-informatics of Tetradecanoic Acid (Myristic Acid) from ethyl acetate fraction of Moringa oleifera leaves to predict drug metabolism and pharmacokinetics (DMPK) outcomes has been taken up. This work contributes to the deeper understanding of Myristic acid as major source of drug from commonly available medicinal plant - Moringa oleifera with immense therapeutic potential. The data generated herein could be useful for NP based lead generation programs.

Journal of Drug Delivery and Therapeutics ; 12(2):87-99, 2022.
Article in English | CAB Abstracts | ID: covidwho-1841785


Plant Based Natural Products (PBNPs) have been subject of interest since ancient time due to their use in food, industrial and biomedical applications. Research attention has further augmented to explore their phytochemical composition, properties, and potential application in the post-COVID era. In the present study phytochemical screening has been carried out with Methanolic Leaf Extracts of Moringa oleifera (MLEMO) followed by Gas Chromatography-Mass Spectrometry (GCMS) analysis. Phytochemical analysis of MLEMO revealed the presence of Alkaloids, Carbohydrates, Coumarins, Flavonoids, Glycosides, Phenol, Proteins, Quinones, Saponins, Steroids, Tannins and Terpenoids. Further, GCMS analysis revealed the presence of 41 compounds of which Dihydroxyacetone;Monomethyl malonate;4H-Pyran-4-one,2,3-dihydro- 3,5-dihydroxy-6-methyl;1,3-Propanediol, 2-ethyl-2-(hydroxymethyl);Propanoic acid, 2- methyl-, octyl ester;3-Deoxy-d-mannoic lactone;Sorbitol;Inositol;Cyclohexanemethanol, alpha-methyl-4-(1-methylethyl), Hexadecanoic acid, Methyl palmitate;n-Hexadecanoic acid (Palmitic acid);9-Octadecenoic acid, methyl ester;Phytol;9,12,15-Octadecatrienoic acid;Octadecanoic acid;9-Octadecenamide were prominent. Most of the compounds in the list are bioactive and possess medicinal properties that are expected to serve as a baseline lead for the development of therapeutic agents.

Journal of Drug Delivery and Therapeutics ; 11(5-s):77-84, 2021.
Article in English | CAB Abstracts | ID: covidwho-1603047


Quercetin (3,3',4',5,7-Pentahydroxyflavone) is the one among the bioactive secondary metabolite (BASM) in neem seed of Azadirachta indica A. Juss. Quercetin (Que) and its derivatives hold promising pharmacological effects. Antidiabetic, anti-inflammatory, antioxidant, antimicrobial, anti-Alzheimer's, antiarthritic, cardiovascular, and wound-healing effects of Que have been extensively investigated, recently lot of work has been carried out on its anticancer activity against different cancer cell lines. Recently, in silico/in vitro studies have demonstrated that Que interferes with different stages of coronavirus entry and replication cycle (PLpro, 3CLpro, and NTPase/helicase). Due to its pleiotropic effects in human health and disease and lack of systemic toxicity, Que and its derivatives could be tested for their efficacy on human target system in future clinical trials. In the present study, an attempt has been made to evaluate the physicochemical, druggable properties of Que from A. indica to prospect its ADMET properties.