Purpose: This study aimed to evaluate the potency of 471 flavonoids from the genus as potential acetylcholinesterase (AChE) inhibitors and free radical scavengers through computational studies to develop Alzheimer's disease (AD) therapies from natural products.
Methods: A total of 471 flavonoids from the genus were subjected to molecular docking against AChE, followed by toxicity screening. The potential AChE inhibitors with the least toxic profile were subjected to further investigation through molecular dynamics (MD) simulations, density functional theory (DFT) study, and in silico pharmacokinetic predictions.
Introduction: , a medical plant found in sub-Saharan Africa and the Western Ghats of India, shows promise as a potential source of bioactive compounds to treat cancer. In our ongoing research on folk medical plants, we report the isolation of flavonoid compound from the stem bark of along with its cytotoxic activity against breast cancer (MCF-7 and T47D), and cervical cancer (HeLa) cell lines.
Purpose: This study aimed to isolate secondary metabolite from the stem bark of and evaluate its cytotoxic activity to support the use of folk medicinal plants as alternative therapy against cancer.
Purpose: This study aimed to screen potential drug candidates from the flavonoids of the genus for the Corona Virus Disease 2019 (COVID-19) treatment.
Patients And Methods: A comprehensive screening was conducted on the structures of 473 flavonoids derived from the genus , focusing on their potential toxicity and pharmacokinetic profiles. Subsequently, flavonoids that were non-toxic and possessed favorable pharmacokinetic properties underwent further analysis to explore their interactions with the angiotensin-converting enzyme 2 (ACE2) receptor, employing molecular docking and molecular dynamics simulations.
The emergence of antimicrobial resistance due to the widespread and inappropriate use of antibiotics has now become the global health challenge. Flavonoids have long been reported to be a potent antimicrobial agent against a wide range of pathogenic microorganisms in vitro. Therefore, new antibiotics development based on flavonoid structures could be a potential strategy to fight against antibiotic-resistant infections.
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