In-Silico Prediction of Phytoconstituents from Manilkara Hexandra for Antidiabetic Activity Targeting GKRP (Glucokinase Regulatory Protein)

Objective: A complex metabolic condition known as diabetes mellitus is caused by either inadequate or dysfunctional insulin. Once more, medicinal plants are being researched for the treatment of diabetes. Prototypical compounds found in medicinal plants have been the source of many conventional medications. The part of our investigation was to test the phytoconstituents of Manilkara hexandra for antidiabetic efficacy, in-silico. Methods: The pattern of interaction between the phytoconstituents from the Manilkara hexandra (Roxb.) Dubard, plant and the crystal structure of the antidiabetic proteins is evaluated using molecular docking in Discovery Studio (PDB ID: 4LY9). Later, SwissADME and pkCSM were used to screen for toxicity as well as the pharmacokinetic profile. Results: The docked results suggest that quercetin (-9.3 kcal/mol), kaempferol (-9.1 kcal/mol), p-coumaric acid (-6.4 kcal/mol) and cinnamic acid (-6.3 kcal/mol) for 4LY9 macromolecule has best binding towards antidiabetic activity as compared to the standard drug metformin (-5.0 kcal/mol). According to ADMET tests, pharmacokinetics and toxicity characteristics were also within acceptable bounds. Conclusion: Results from the binding potential of phytoconstituents aimed at antidiabetic activity were encouraging. It promotes the usage of Manilkara hexandra and offers crucial details on pharmaceutical research and clinical care.

In-Silico Prediction of Phytoconstituents from Phyllanthus niruri for Anticancer Activity against Prostate Cancer Targeting PIM-1 Kinase

Objective: Lung cancer, commonly referred to as lung carcinoma, is a malignant tumour of the lung that is characterised by unchecked cell proliferation in lung tissues.Oncemore, medicinal plants are being researched for the treatment of lung cancer. Prototypical compounds found in medicinal plants have been the source of many conventional medications. In-silico testing of Phyllanthus niruri (L.) Lour. phytoconstituents for anticancer efficacy was a part of our investigation. Design: Utilizing Discovery studio, molecular docking is done to assess the pattern of interaction between the phytoconstituents from the Phyllanthus niruri plant and the crystal structure of the anticancer proteins (PDB ID: 3A99). Later, SwissADME and pkCSM were used to screen for toxicity as well as the pharmacokinetic profile. Results: The docked results suggest that luteolin (-8.3 kcal/mol), and caffeic acid (-6.6 kcal/mol), for 3A99 macromolecule has best binding affinity towards PIM-1 kinase for anticancer activity on lungs as compared to the standard drug lenvatinib mesylate (-3.5 kcal/mol). Furthermore, pharmacokinetics and toxicity parameters were within acceptable limits according to ADMET studies. Conclusion: Results from the binding potential of phytoconstituents aimed at anticancer activity were encouraging. It promotes the usage of Phyllanthus niruri and offers crucial details on pharmaceutical research and clinical care

FLAVONES AND THEIR DERIVATIVES: SYNTHETIC AND PHARMACOLOGICAL IMPORTANCE

Flavones (from the Latin flavus, which means “yellow”) are a kind of flavonoid with a backbone of 2-phenylchromen-4-one. Flavones, one of the most important classes of plant secondary metabolites, are well-known for their anti-cancer, anti-inflammatory, anti-microbial, antioxidant, anti-osteoporatic, anti-diabetic, anti-estrogenic, anti-allergic, and metal chelating properties. These family compounds have been intensively studied synthetically due to their wide spectrum of biological actions, and more than 4000 chemically distinct flavonoids have been identified from plants. However, new advances in synthetic chemistry have resulted in the production of a number of therapeutically important derivatives. This article summarizes the synthesis of flavones, their derivatives, and other flavone analogues which have the potential for treating a range of illnesses and ailments