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This study reported that the calculated and experimental electronic and vibrational properties of minoxidil were in good agreement, providing detailed insights into its molecular structure and thermal behaviors.

This study found that certain molecular quantum descriptors can be directly correlated with the biological activity of benzo[c]quinolizin-3-ones, potentially aiding in the identification and design of active compounds.

This study conducted molecular docking and ADME property analysis on 144 newly designed isatin analogs, suggesting they exhibit lead-like properties for targeting EGFR enzymes.

This study found that the extracts of Serenoa repens, when evaluated through chemical, biological, and in silico methods, demonstrated anti-inflammatory, pro-apoptotic, and anti-androgenic activities against prostate cancer cell lines, suggesting potential therapeutic benefits and directing future pharmaceutical development.

This study analyzed the geometric and electronic properties of baicalin conformers, finding that BCLa2TT and BCLa1TT conformers exhibit high stability in aqueous solutions and are favorable for interactions with positively charged species.