Isolation, structural elucidation and molecular docking studies against SARS-CoV-2 main protease of new stigmastane-type steroidal glucosides isolated from the whole plants of Vernonia gratiosa.

Phytochemical investigation of the whole plants of Vernonia gratiosa Hance. led in the isolation and identification of two new stigmastane-type steroidal glucosides (1-2), namely vernogratiosides A (1), and B (2). Their chemical structures were fully elucidated based on 1 D/2D NMR spectroscopic, HR-ESI-MS data analyses, and by producing derivatives by chemical reactions. The binding potential of the isolated compounds to replicase protein - main protease of SARS-CoV-2 were examined using the molecular docking simulations. Our results show that the isolated steroidal glucosides (1-2) bind to the substrate-binding site of SARS-CoV-2 main protease with binding affinities of -7.2 and -7.6 kcal/mol, respectively, as well as binding abilities equivalent to N3 inhibitor that has already been reported (-7.5 kcal/mol).

Field evaluation of spatial repellency of metofluthrin impregnated plastic strips against mosquitoes in Hai Phong City, Vietnam.

Spatial repellency of metofluthrin-impregnated polyethylene plastic strips against mosquitoes, Aedes aegypti and Culex quinquefasciatus, were studied in a residential area in Hai Phong city, Vietnam. Thirty houses were selected as trial sites; half of these were assigned as untreated control and the other half were assigned for treatment. Primarily, irrespective of the room size, one room was treated with one strip. The dominant species in the trial sites were Culex quinquefasciatus and Aedes aegypti. A rapid decrease in the mosquito index was observed immediately after the treatment with metofluthrin strips, and treatment was effective for at least 6 weeks.