Exploration of In Vivo and In Vitro Biological Effects of Sonneratia caseolaris (L.) Fruits Supported by Molecular Docking and ADMET Study

• Published in: BioMed research international 2023, Vol.2023 (1), p.4522446-4522446
• Main Authors: Kundu, Pritam, Debnath, Shovan Lal, Ahad, Md. Faisal, Devnath, Hiron Saraj, Saha, Lopa, Karmakar, Utpal Kumar, Sadhu, Samir Kumar
• Format: Article
• Language: English
• Subjects: Acids; Animals; Antiparasitic agents; Bioassays; Biological effects; Biomedical research; Blood coagulation; Castor oil; Central nervous system; Central Nervous System Depressants; Clotting; Cytotoxicity; Defecation; Diarrhea; Drug dosages; Ellagic acid; Ethanol; Evaluation; Fruit; Fruits; Glucosides; Herbal medicine; Latency; Lethality; Luteolin; Medicinal plants; Mice; Molecular docking; Molecular Docking Simulation; Mortality; Oleanolic acid; Paramphistomum cervi; Pharmaceuticals; Pharmacology; Phytochemicals; Plant Extracts - pharmacology; Sonneratia caseolaris; Variance analysis
• ISSN: 2314-6133; 2314-6141
• DOI: 10.1155/2023/4522446

Sonneratia caseolaris (L.) is a common mangrove plant which has significant medicinal value in traditional medicine. Ethanol extract from the fruits of S. caseolaris (SCE) was used in this project to explore its different pharmacological effects considering its traditional usage. In the castor oil-induced diarrheal method, SCE significantly lengthened the latency of the first defecation period up to 95.8 and 119.4 min as well as lowering stool count by 43.3% and 64.4% at the doses of 250 and 500 mg/kg, respectively. In evaluating the neuropharmacological effect using the open-field model, a significant central nervous system (CNS) depressant nature was observed after a reduction in the no. of squares crossed by mice at various time intervals. In evaluating the blood coagulation effect, SCE significantly reduced blood clotting time at 5.86, 5.52, and 5.01 min at 25, 50, and 100 mg/ml doses, respectively. In the assessment of the anthelmintic effect, SCE significantly killed Paramphistomum cervi (P. cervi) where the death times of the nematodes were 40.3, 36.8, and 29.9 min at 12.5, 25, and 50 mg/ml doses, respectively. The extract showed a very poor cytotoxic effect in brine shrimp lethality bioassay. In molecular docking analysis, maslinic acid, oleanolic acid, luteolin, luteolin 7-O-β-glucoside, myricetin, ellagic acid, and R-nyasol showed the best binding affinities with the selected proteins which might be the credible reasons for eliciting pharmacological responses. Among these seven compounds, only luteolin 7-O-β-glucoside had two violations in Lipinski’s rule of five.