Hematological parameters and changes in stress-induced functionalities of cellular enzymes have been recognized as valuable tools for monitoring fish health and determining the toxic effects of pesticides. The present study was conducted to evaluate the toxic effect of selected pesticides viz., Ekalux (EC-25%), Impala (EC-55%), and Neemstar (EC-15%) on freshwater catfish Mystus keletius. Fish were exposed to sub-lethal concentrations (mg/L) of the selected pesticide for a period of 7, 14, 21, and 28 days. Hematological parameters viz., total erythrocyte (RBC), hemoglobin (Hb), and hematocrit (Ht) packed cell volume values decreased with an increase in exposure time to pesticides, whereas the values for parameters viz., leucocytes (WBC), mean corpuscular hemoglobin concentration (MCHC), mean corpuscular volume (MCV), and mean corpuscular hemoglobin (MCH) increased significantly. A decrease in packed cell volume (PCV) and hemoglobin values coupled with decreased and deformed erythrocytes as signs of anemia were also observed. The effect of pesticides on RBC content was 1.43 (million/mm³) on day 7 and reduced to 1.18 (million/mm³) on days 14 and 21. A similar trend was found for Impala on RBC, which had an initial value of 1.36 (million/mm³) on day 7 and reached a value of 1.10 (million/mm³) on day 28. In contrast, the value of Neemstar decreased from 1.59 (million/mm³) on day 7 in control to 1.02 (million/mm³) on day 28. Data indicates that the order of toxic effect of pesticides recorded a maximum for Impala followed by Ekalux and Neemstar in the selected fish model. Likewise, the overall pattern of pesticidal activity on cellular enzymes (GDH, MDH, and SDH) recorded a maximum toxic effect for Impala followed by Ekalux and Neemstar. Results indicate that Chlorpyrifos pesticide-Impala evoked maximum toxic effect on selected tissues compared to the other two pesticides tested. Statistical analysis of the summative data using two way ANOVA was statistically significant (p-value < 0.001). The differences in the hematological parameters analyzed are attributed to the physiological acclimatization of the fish to the local conditions, which influences the energy metabolism and consequently determines the health status of the fish. Overall, Impala exhibited the highest pesticidal activity on cellular enzyme, followed by Ekalux and Neemstar. Results suggest that natural pesticides may be preferable for rice field application in terms of environmental safety.

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. Keywords: Phytochemical screening; GCMS; Bioactive Natural Products; Moringa oleifera; MLEMO; Biomedical application

Syzygium cumini (Myrtaceae) is a potential medicinal plant traditionally used in indigenous systems of medicines practiced in India and elsewhere due to its functional properties against metabolic inflammations viz., anti-hyperglycemic, anti-inflammatory, cardio-protective, and antioxidant activities. Targeting metabolic inflammation has emerged as a standalone strategy to attenuate metabolic disease. Myricetin (3,5,7,3′,4′,5′-hexahydroxyflavone) is one of the flavonoids from stem bark, leaf, flowers, fruits, pulp and seeds of S. cumini. Therefore, attention has been paid to explore bioactive potentials of this compound in S. cumini owing to its exemplary therapeutic prospective and health-promoting effects. Antioxidant effect of Myricetin from S. cumini has been though experimentally demonstrated, therapeutic potential of Myricetin has not been fully explored. In the present study, physicochemical, ADMET and druggability properties of Myricetin - a key flavonoid compound in S. cumini have been evaluated. Data implicates that this molecule of GRAS standard can be a novel jumble-sale lead in drug discovery. Keywords: Plant Based Natural Products (PBNPs); Drug Discovery; Pharmacological Activity; ADMET Properties; Flavonoid; Myricetin; Syzygium cumini

Neem (Azadirachta indica) a member of Meliaceae plays an immense role in human health and disease which is attributed to its composition of Bioactive Secondary Metabolites (BASM). It has been widely used in Indian Traditional Systems of Medicine that includes Ayurveda, Siddha, Unani, Homeopathy and other Folklore Systems of Medicine practiced in the Indian Subcontinent for the treatment and prevention of various diseases. Current global health perspectives and medical practice in the post COVID era has no other way but to seek to merge alternative systems of medicine with evidence-based therapeutic aspects for a better understanding of the metabolic process and its effects in the human body. The studies based on animal model established that neem and its chief constituents play pivotal role in anticancer management through the modulation of various molecular pathways including p53, pTEN, NF-κB, PI3K/Akt, Bcl-2, and VEGF. Besides, NEEM plays a vital role in the management of diabetics and its associated long term complication through ROS scavenging and ameliorative potentials to restore oxidative injury/ inhibit enzymes linked to. Overall NEEM is considered as GRAS medicinal plant that modulates metabolic inflammations without side effects. Though it has been confirmed that neem and its constituents play role in the scavenging of free radical and prevention of disease pathogenesis, a clear scientific basis of its pharmacoinformatics is still lacking. Gas Chromatography–Mass Spectroscopy (GC–MS) analysis of the fractions revealed the presence of 62 metabolites. Keywords: Azadirachta indica; NEEM; GCMS; Bioactive Secondary Metabolites; GRAS; Medicinal Plants

Recent advancements in genomics and proteomics provide a solid foundation for understanding the pathogenesis of diabetes. Proteomics of diabetes associated pathways help to identify the most potent target for the management of diabetes. The relevant datasets are scattered in various prominent sources which takes much time to select the therapeutic target for the clinical management of diabetes. However, additional information about target proteins is needed for validation. This lacuna may be resolved by linking diabetes associated genes, pathways and proteins and it will provide a strong base for the treatment and planning management strategies of diabetes. Thus, a web source “Diabetes Associated Proteins Database (DAPD)” has been developed to link the diabetes associated genes, pathways and proteins using PHP, MySQL. The current version of DAPD has been built with proteins associated with different types of diabetes. In addition, DAPD has been linked to external sources to gain the access to more participatory proteins and their pathway network. DAPD will reduce the time and it is expected to pave the way for the discovery of novel anti-diabetic leads using computational drug designing for diabetes management. DAPD is open accessed via following url www.mkarthikeyan.bioinfoau.org/dapd.

Current craze and concomitant rise of Artificial Intelligence and Machine Learning (AI&ML) in the post-COVID-era holds significant contribution to Drug Design and Development. Along with IoT, AI&ML has reduced human interface and improved the Quality of Life though Quality-Health-Care products. AI&ML approaches driven Rational Drug Design along with customised molecular modelling techniques such as in-silico simulation, pharmacophore modelling, molecular dynamics, virtual screening, and molecular docking aims to elucidate unforeseen bioactivity of natural products confined to limited timeframe with at-most perfection. Besides, it also defines the molecular determinants that partake in the interface with in the drug and the target to design more proficient drug leads. α-Linolenic acid (ALA), a carboxylic acid with 18 carbons and three cis double bonds, is an essential fatty acid required for normal human health and can be acquired through regular dietary supplementation of food. During the metabolic process, ALA is bio-transformed into EPA and DHA. ALA decreases the risk of heart disease by maintaining normal heart rhythm and pumping. Studies suggest that ALA is associated with reduced risk of fatal ischemic heart disease further higher intake may reduce the risk of sudden death among prevalent myocardial infarction patients consistent with induced antiarrhythmic effect. It reduces blood clots, besides, cardiovascular-protective, anti-cancer, neuro-protective, anti-osteoporotic, anti-inflammatory, and anti-oxidative effects. However, data on pharmacological and toxicological aspects of ALA is limited; on the other hand, no serious adverse effects of ALA have been reported yet. In the present study AI&ML approach based in-silico ADME-Tox and pharmacokinetic profile of ALA from Catharanthus roseus is envisaged. Keywords: IoT; AI&ML; ADME-Tox; α-Linolenic Acid (ALA); EPA; DHA Pharmacokinetics; Catharanthus roseus.