Medicinal herbs have proved along history to be a source of multiple cures. In this paper, we demonstrate how hydroxychloroquine can act as a good inhibitor of SARS-CoV-2 Spike protein receptor-binding-domain using molecular docking studies. We also unveil how hydroxychloroquine can interfere in the prevention of Lys353 in hACE2 from interacting with the corresponding binding hotspot present on the Spike protein. Further screening of artemisinin & derived compounds produced better Vina docking score than hydroxychloroquine (-7.1 kcal mol À1 for artelinic acid vs. À5.5 kcal mol À1 for hydroxychloroquine). Artesunate, artemisinin and artenimol, showed two mode of interactions with Lys353 and Lys31 binding hotspots of the Spike protein. Molecular dynamics analysis confirmed that the formed complexes are able to interact and remain stable in the active site of their respective targets. Given that these molecules are effective antivirals with excellent safety track records in humans against various ailment, we recommend their potential repurposing for the treatment of SARS-CoV-2 patients after successful clinical studies. In addition, an extraction protocol for artemisinin from Artemisia annua L. is proposed in order to cope with the potential urgent global demand. HIGHLIGHTS Hydroxychloroquine role to prevent hACE2 from interacting with SARS-CoV-2 Spike protein is unveiled Artemisinin & derivatives entangle Lys353 & Lys31 binding hotspots of virus Spike protein and prevent infection Artemisinin, artesunate and artenimol stand as strong repurposing cadidates for COVID-19 clinical trials ARTICLE HISTORY
Hydrotalcite-type solids of the form NiAl-R, where R refers to the ratio of Ni to Al (R = 2, 3, 5, 8, and 10), were successfully synthesized following co-precipitation method at pH = 12. The obtained solids were calcined at 800°C, except for NiAl-R 2 where calcination was performed at temperatures ranging between 300 and 800°C. Following calcination, the resulting materials were evaluated for their catalytic activity and stability during the process of dry reforming of methane. Factors affecting the catalytic activity of the obtained materials such as the ratio R and calcination temperature were also studied. Prior to calcination, X-ray diffraction analyses clearly illustrated the typical hydrotalcite structure of the synthesized materials (when R B 5). On the other hand, calcination at various temperatures prompted decomposition of all solids to form NiO, with exception to NiAl-R 2 , which upon calcinations at 800°C was decomposed to form NiO and a second phase spinel containing NiAl 2 O 4 . The chemical composition of the obtained solids was determined by atomic absorption spectroscopy. Further characterization was performed using several techniques, including: surface area measurements (S BET ), scanning electron microscopy, Fourier transform infrared spectroscopy and thermogravimetric analysis. The reducibility of nickel species was studied via temperatureprogrammed reduction. The catalytic performance of the asprepared samples was studied for dry reforming of methane under atmospheric pressure at temperatures ranging between 400 and 700°C. The catalytic activity of the designed substances highlighted the importance of molar ratios i.e. Ni 2? / Al 3? on the success of the overall dry reforming of methane process. The catalytic activity of the synthesized materials was also found to be directly proportional to the ratio of Ni/ Al as well as the calcination temperature, with exception to NiAl-R 2 which was found to exhibit the highest activity of all. The latter observation was perhaps associated with the lower size of the crystalline particles in conjunction with the presence of a second phase containing NiAl 2 O 4 . In this study, it is shown that the calcination temperature has a significant effect on the catalytic property and the crystallite size of the metal.
An intramolecular acylal cyclisation (IAC) approach to the synthesis of a range of bicyclic heterocycles is reported. As an example of the utility of the IAC reaction, the methodology was applied in a protecting-group-free five-step total synthesis of (±)-γ-lycorane, incorporating a new intramolecular Heck addition reaction to generate the pentacyclic core structure of the natural product in good yield.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.