Comparative Docking Studies on Curcumin with COVID-19 Proteins Preprint 2020-05-38 (Preprint, ivermectin, curcumin PDF)

[-] nilaul | 1 points | May 27 2020 17:56:53

Can we have some sort of small explantation?

[-] foggynotion | 1 points | May 27 2020 18:14:54

page 5: A comprehensive docking studies were carried on 14 drug molecules with antiviral properties that are considered for clinical trials along with a natural bioactive molecule (curcumin) using AutoDock 4.2. .....

While we validate that ivermectin showed the best affinity towards all the targeted proteins we studied, we also find significant efficient binding to the non-structural proteins (nuclocapsid and nsp10). The efficient binding to non-structural proteins is not much in the case of chloroquine, efavirenz, favipiravir and tenofovir, disoproxil. We argue that curcumin serves as the molecule of interest to us because (i) it is a natural product, and (ii) it is non-toxic to humans at dosage as high as 5 g/day (Soleimani et. al., 2018).

Page 8, not sure exactly what this means:
We further argue that ivermectin is relatively a complex molecule with reasonably high number of rings, with least Cmax and relatively most insoluble compound among the ones used here. The low Ki values observed for ivermectin correlates with its low physiological Cmax which therefore could make a viable target drug.

[-] nilaul | 2 points | May 27 2020 19:40:11

Thanks, whats this about the curcumin?

[-] foggynotion | 1 points | May 27 2020 21:20:17

It looks like it has some similar mechanisms when compared to ivermectin but is a supplement sold OTC

[-] nilaul | 1 points | May 27 2020 23:06:50

Could we use both at the same time or would they counteract?

[-] foggynotion | 1 points | May 28 2020 01:29:27

Not sure..