Investigating the therapeutic potential of Baccaurea motleyana through an integrated approach utilizing in vitro, in vivo, and in silico investigations
Jarin Tasnim Sany, Md. Liakot Ali, Md. Ekramul Haque Ekram, Md. Tanveer Ahsan
Abstract
Baccaurea motleyana Müll.Arg., commonly known as Rambai, is a fruit-bearing tree with potential nutraceutical and remedial properties. Traditionally, it is used for postpartum recovery and eye ailments. This research intended to explore the pharmacological benefits of the methanol extract of Baccaurea motleyana leaves (MEBML) using a comprehensive approach. The efficacy of the methanol extract of Baccaurea motleyana leaves (MEBML) at 200 mg/kg and 400 mg/kg was evaluated through various in vivo models, including antipyretic testing in Swiss albino mice, analgesic effects via acetic acid-induced writhing and formalin-induced paw licking, and antidiarrheal activity through castor oil-induced diarrhea and gastrointestinal motility tests. Additionally, in vitro cytotoxic effects were assessed using the brine shrimp lethality bioassay, while computational analysis explored interactions between MEBML phytochemicals and proteins related to target diseases. The methanol extract of Baccaurea motleyana leaves (MEBML) demonstrated a significant reduction in yeast-induced pyrexia in Swiss albino mice. It also exhibited a dose-dependent inhibition in both the acetic acid-induced writhing and formalin-induced paw-licking tests, highlighting its analgesic potential. MEBML showed noteworthy antidiarrheal activity in the castor oil-induced diarrhea model and displayed a cytotoxic effect with an LC 50 value of 125.6 μg/ml. Furthermore, phytochemicals from MEBML exhibited strong binding affinities, ranging from -6.1 kcal/mol to -7.3 kcal/mol, with key drug target receptors. These include cyclooxygenase-1 (PDB ID: 2OYE) and cyclooxygenase-2 (PDB ID: 6COX) for analgesic and antipyretic activities, the M3 muscarinic cholinergic receptor (PDB ID: 5ZHP) for antidiarrheal effects, and human cytochrome P450 2C9 (PDB ID: 1OG5) for cytotoxic evaluations. In conclusion, MEBML showcased substantial pharmacological activity in pain relief, antipyretic effects, antidiarrheal action, and cytotoxicity in diverse experimental systems, indicating its promise as a foundation for novel drug development.