Mechanistic insight into the free radical scavenging and xanthine oxidase (XO) inhibitor potent of monoacetylphloroglucinols (MAPGs).

Three novel antioxidant candidates based on phenolic polyketide, monoacetylphloroglucinol (MAPG), a natural antibiotic compound produced by plant growth-promoting rhizobacteria (PGPR), F113 have been proposed. Initially, a green and highly efficient route to the synthesis of MAPG and its two analogues from phloroglucinol (PG) has been developed. Afterward, their rational mechanism of antioxidant activity has been investigated based on thermodynamic descriptors involved in the double (/) radical trapping processes.

Organically surface engineered mesoporous silica nanoparticles control the release of quercetin by pH stimuli.

Controlling the premature release of hydrophobic drugs like quercetin over physiological conditions remains a challenge motivating the development of smart and responsive drug carriers in recent years. This present work reported a surface modification of mesoporous silica nanoparticles (MSN) by a functional compound having both amines (as a positively charged group) and carboxylic (negatively charged group), namely 4-((2-aminoethyl)amino)-4-oxobut-2-enoic acid (AmEA) prepared via simple mechanochemistry approach. The impact of MSN surface modification on physical, textural, and morphological features was evaluated by TGA, N adsorption-desorption, PSA-zeta, SEM, and TEM.

Identification of potential bioactive natural compounds from Indonesian medicinal plants against 3-chymotrypsin-like protease (3CL) of SARS-CoV-2: molecular docking, ADME/T, molecular dynamic simulations, and DFT analysis.

An outbreak of SARS-CoV-2 (COVID-19) has caused a global health emergency, resulting in hundreds of millions of infections and millions of deaths globally since December 2019. Due to the lack of a particular medicine or treatment approach and the fast spread of the virus around the world, it is imperative to find effective pharmacological molecules to combat the virus. Herein, we carried out docking-based virtual screening of selected 49 bioactive phytochemicals from 20 medicinal plants used in , an Indonesian traditional herbal medicine along with the 3CL inhibitor N3 towards the 3CL enzyme of SARS-CoV-2.