The COVID-19 pandemic that broken out in 2020 is becoming more worrying for the world. Although there no 100 % success against COVID-19, certain synthetic drugs are currently used despite various side effects. Therefore, studies on discovery of new treatment alternatives come to fore. Studies so far show natural products still important resources therapeutic agents. Plant-derived essential oils...

The adsorption of penicillamine (PCA) on pure B12N12 and B12CaN12 nanocages in aqueous chloroform solvents has been evaluated using density functional theory (DFT) calculations. interaction PCA is chemisorption through its four nucleophilic sites: amine, carbonyl, hydroxyl thiol. most stable configuration was achieved when zwitterionic adsorbs via carbonyl group water with value ?1.723 eV, cont...

In US about 106110 diagnosed as melanomas, 7,180 people expected to die due melanoma. B-RAF is a cytoplasmic serine - threonine kinase that found in mutated form melanoma and colorectal cancer. Sorafenib was initially introduced inhibitor Hence it taken pivot molecule our study. Four potent B-Raf inhibitors (Sorafenib, Regorafenib, N-desmethyl sorafenib & Donafenib) are used build pharmacop...

A small molecule (ligand) is placed in the binding site of its macromolecular target (receptor) using a computational process called molecular docking, which also calculates affinity molecule. With use PyRx software, current study tried high-throughput in-silico screening 16 compounds docked with crystal structure DNA gyrase B receptors (PDB ID: 5D7R). In range -8.0 and -8.1, 3 these displayed ...

Diabetes mellitus is a metabolic disorder characterized by high blood glucose level in the body. It occurs due to inadequate amount of insulin secreted body or resistance receptors. In present study, Baicalein flavone glycoside was evaluated for its effect on alpha-amylase and alpha-glucosidase enzymes using in-vitro assays extracting respective from whole wheat barley combination with in-silic...

Objective: The significant drawbacks of chemotherapy are that it destroys healthy cells, resulting in adverse effects. Hence, there is a need to adopt new techniques develop cancer-specific chemicals target the molecular pathways non-toxic fashion. This study aims screen pyrazole-condensed heterocyclics for their anticancer activities and analyse enzyme inhibitory potentials EGFR, ALK, VEGFR TN...

Prostate cancer is the most common type of diagnosed in men worldwide and second leading cause death after lung cancer. Testosterone dihydrotestosterone (DHT) have been known to play an essential role prostate Androgen receptor (AR) binding ligand allows homodimerization translocation nucleus, which acts as a transcription factor for androgen-responsive genes such PSA (Prostate-specific antigen...