Machine Learning Prediction of Intestinal α-Glucosidase Inhibitors Using a Diverse Set of Ligands: A Drug Repurposing Effort with DrugBank Database Screening
Computational investigation of phytochemicals from Allamanda cathartica as a potent agonist of Peroxisome proliferator-activated receptor-gamma (PPARγ) for the treatment of Diabetes mellitus
In silico bioprospecting of receptors associated to act mechanism of Rondonin, an antifungal peptide from spider Acanthoscurria rondoniae haemolymph
in silico Computational Studies of phenolic compounds from Pinaropappus roseus Less leaves extract against BCL-2 and BCL-XL proteins Associated with Cancer Cell Survival and Resistance
In silico investigations of triazole -trimethoxyphenyl hybrids as anti-proliferative agents against adenocarcinomic human alveolar basal epithelial cells (A549): DFT, QSAR and Molecular Docking Approaches
Identification and analysis of bioactive compounds in medicinal plants with potential therapeutic effects on Uterine fibroid using computational approaches
Molecular docking and anti-MRSA effects of bioactive compounds from Cymbopogon
Unlocking Neurodegeneration: Scaffold-Derived Blockers of MAO-B and AChE inspired by Bryophyllum pinnatum: A Structural Exploration
Molecular docking and pharmacokinetic studies of bioactive compounds from medicinal plants as promising inhibitory agents against Mycobacterium tuberculosis Enoyl-acyl carrier protein (ACP)-reductase (InhA)
In silico analysis of Balsaminol as anti-viral agents targeting SARS-CoV-2 main protease, spike receptor binding domain and papain-like protease receptors