Plant Based Natural Products (PBNPs) are the primary source of natural antioxidants capable of neutralizing or eliminating harmful Reactive Oxygen Species (ROS). Oxidative stress contributes not only to the pathogenesis of type 2 diabetes (T2DM) but also to diabetic related vascular complications by lipid peroxidation. Oxidation induced DNA and protein damage leads to development of vascular complications like coronary heart disease, CVD, stroke, neuropathy, retinopathy, nephropathy, CKD, and other long term complications associated with diabetics. Likewise Multidrug resistance (MDR) is one of the major clinical challenges in cancer treatment and compromises the effectiveness of conventional anticancer chemotherapeutics. P-glycoprotein (P-gp) has been characterized as a major mechanism of MDR. Ellagic acid (EA) is a bioactive secondary metabolite widely distributed in vegetables and fruits (Strawberry, Grapes, Blackberry, Raspberry, Plums etc.) Chemically, EA is 2,3,7,8-tetrahydroxychromeno [5,4, -cde] chromene-5, 10-dione, a heterotetracyclic dimer of Gallic Acid (GA) molecules formed by oxidative aromatic coupling involving intramolecular lactonization. EA is associated with pharmacological activities such as anti-inflammatory, neuroprotective, cardio-protective, antioxidant, anti-mutagenic, multidrug resistance etc. EA has been marketed as a dietary supplement with claimed benefits against cancer, CVD, CKD and other metabolic disorders. However, pharmacological limitation of EA is attributed to its low solubility in water and reduced bioavailability. In the present study, bimolecular potential of EA has been bioprospected in the revised framework of ADMET pharmacoinformatics to further widen its biomedical applications. Keywords: ADMET; Pharmacoinformatics; Ellagic Acid; Gallic Acid; Syzygium cumini; Alagarkovil Reserve Forest (ARF); Reactive Oxygen Species (ROS)

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. Keywords: NEEM; Azadirachta indica; Quercetin; Pharmacoinformatics; ADMET; Drug-Likeness; Toxicology

Plant Based Natural Products (PBNPs) have contributed to the development of many drugs for diverse indications. Worldwide interest in use of plants based natural products (PBNPs) has been growing, and its beneficial effects being rediscovered for the development of new drugs. Literature survey on indigenous traditional knowledge bestows ethnopharmacological potentials of PBNPs, which has inspired research in drug discovery; further it provides a baseline for the development of novel drug leads against selected pharmacological targets. Studies report that rosemary essential oil (ROEO) extracts have hepatoprotective, antifungal, insecticide, antioxidant and antibacterial properties. However, their application is limited because of their odor, color and taste. Owing to the widespread applications of phyto-compounds in ROEO - GCMS was performed. GCMS analysis detected 22 compounds of which 6 compounds were in abundant. In the present study, isopulegol - a Prenol Lipid (Monoterpenoid) from Rosmarinus officinalis has been ADMET characterized from biomedical application point of view. Keywords: Rosmarinus officinalis; Rosemary officinalis Essential Oils (ROEO); Pharmacological Activity; ADMET; GCMS;

Cymbopogon martinii is a grass from genus Cymbopogon (lemongrasses) native to India, but widely cultivated in other places for its aromatic essential oil. C. martinii known as Palmarosa smells sweet with rose-like odor. Geraniol, a terpene alcohol present in Cymbopogon martinii essential oil (CMEO) is much valued for its typical aroma and medicinal uses. In addition to the pleasant odor, Geraniol is known for fungicidal, nematicidal, acaricidal, insecticidal, repellent properties hence, used as Natural Pest Control Agent (NPCA) exhibiting low toxicity. Furthermore, geraniol has been suggested to exemplify a new class of chemoprevention agents in the treatment of cancer. Biological activities such as antimicrobial, anti-oxidant, anti-inflammatory and vascular effects have been investigated. In the present study, GCMS based in-silico ADMET pharmacoinformatics aspects (Physicochemical, Lipophilicity, Medicinal Chemistry, Druglikeness, Absorption, Water Solubility, Distribution, Metabolism, Pharmacokinetics, Excretion, Environmental Toxicity, Tox21 Pathway and Toxicophore Rules) with PASS prediction of geraniol from CMEO has been bioprospected from human health perspective point of view. Keywords: GCMS; ADMET; Pharmacoinformatics; Geraniol; Essential Oil; Cymbopogon martinii; Palmarosa; CMEO; PBNPs; Sirumalai Hills; Eastern Ghats

Plant Based Natural Products (PBNPs) have contributed to the development of drugs for diverse indications. Worldwide interest in use of PBNPs has been growing, and its beneficial effects being rediscovered for the development of drug leads. Literature survey on indigenous traditional knowledge bestows ethnopharmacological potentials of PBNPs, has inspired research in drug design and discovery; PBNPs provide a baseline for the development of novel drug leads against various pharmacological targets. Reports indicate that rosemary essential oil (ROEO) extracts show biological bioactivities such as hepatoprotective, antifungal, insecticide, antioxidant and antibacterial. However, their application is limited because of their odor, color and taste. Phytochemical screening indicates the presence of phenol, flavonoids, tannins, alkaloids, carbohydrates, proteins, glycosides, saponins, coumarins, terpenoids, quinones, steroids. Owing to widespread applications of phyto-compounds in ROEO - GCMS was performed. GCMS analysis detected the presence of 22 compounds (α-Pinene, Camphene, β-Myrcene, α-Terpinine, p-Cymene, trans-3-Caren-2-ol, 1,8-Cineole, γ-Terpinene, α-Terpinolene, Linalool, Isopulegol, Eucalyptol, Terpinen-4-ol, 2-Naphthalenol, (-)-Myrtenol, Verbenone, Terpine, α-Copaene, β-Caryophyllene, γ-Cadinene, Caryophyllene oxide) of which 6 compounds (α-Pinene, p-Cymene, Isopulegol, Eucalyptol, 2-Naphthalenol, Terpine) were in abundant. These compounds have been prospected for their molecular and biological properties in the present study. Keywords: Rosmarinus officinalis; Rosemary Essential Oils (ROEO); GCMS; Bioprospecting; PBNPs