Sappanin-type homoisoflavonoids from Scilla nervosa inhibits acetylcholinesterase enzyme: a combined in silico and in vitro approach.

Alzheimer's disease is among the major health challenges that currently attract the attention of health care givers and drug discovery and development experts worldwide. This study investigated the acetylcholinesterase inhibitory activity of sappanin-type homisoflavonoids isolated from the inter-bulb surface of Scilla nervosa. Molecular docking, molecular dynamics simulation, ADMET and in vitro studies were performed to identify the hit molecules, understand their binding mode and interaction, druggability and establish their inhibitory potentials against acetylcholinesterase enzyme. The hit compounds 5, 2, 1 and 4 were identified as the hit molecules through the molecular docking. The molecular dynamics simulation and MM-PBSA analysis showed the hit homoisoflavonoids established stability and good binding affinity against the acetylcholinesterase enzyme. Also, 5 elicited the best inhibitory activity followed by 2, 1 and 4 in the in vitro experiment. Furthermore, the selected homoisoflavonoids exhibit interesting drug likeness and pharmacokinetic properties as drug candidate. The results suggest further investigations towards the development of the phytochemicals as possible acetylcholinesterase inhibitors.Communicated by Ramaswamy H. Sarma.

Larvicidal Activity of Some Plants Extracts and Their Partitioned Fractions against Culex quinquefasciatus

Aim:The methanol extracts of fifteen plants and their partitioned fractions were screened for larvicidal activity against the fourth instar of larvae Culex quinquefasciatus, the vector of lymphatic filariasiswith a view to identifying the active ones.Methodology:The plant parts were collected,separatelydried and milled. Each powdered material was extracted in methanol at room temperature for 3 days, with agitation. The extract was filtered and concentrated in vacuo. Each extract was tested against the fourth instar larvae of Cx. quinquefasciatus. The methanol extracts were suspended in water and successively partitioned into n-hexane and ethylacetate. Each partitioned fraction was also tested against the fourth instarlarvae of Cx. quinquefasciatus.Results:About fifty six percent (56.3%) of the tested extracts had moderate larvicidal activity after 48 hours. The fruitextract of Thevetia neriifoliaand the leaf extracts of Calotropis procera andOriginal Research Article Solanum macrocarpon were the most active. After partitioning the methanol extracts, each of the plant extracts had one or two highly active partitioned fractions after 48 hours. The n-hexane fractions of S. macrocarpon(0.78 ± 0.03 mg/mL) and Spondias mombin(0.81 ± 0.03 mg/mL) were the most active.Conclusion:The non-polar fractions of S. macrocarponand S. mombinwere the most active. Purification of these highly active fractions could lead to the isolation of potent larvicidal compounds that could be used in the control of Cx. quinquefasciatus mosquito