Dear INPST colleagues, we are currently looking for a collaboration within our project, aimed through molecular docking (MD) to study and track the possible interactions of certain natural products including celastrol, pristimererin, tingenone, iguesterin and quercetin-3-b-galactoside with 3CLpro of SARS-CoV2 as well as possible interactions of tanshinone I and hirsutenone with PLpro of SARS-CoV2.
Compounds showed potential inhibitory activity, via MD, against PLpro of SARS-CoV2, were Glycyrrhizin, Saikosaponin B2, Saikosaponin_A, Amentoflavone, Solasodine, Tingenone, Kolaviron, Pseudo-Ginsenoside F11, Iguesterin, Celastrol, Solanine.
Therefore, we are in particular interest to find a collaboration for providing these later 11 compounds to be tested using the PLpro of SARS-CoV2 assay kit, that we already purchased (for compounds with molecular weight less than 500, about 5-10 mg should be enough. For compounds with higher molecular weight, we need about double that amount).
We are a group of pharmacists, with different specialties working together on this project. We are happy to provide any details if you are interested.
Dr. Nadia Hamdy
Prof. of Biochemistry, Project PI, Dept. Head,
Department of Biochemistry and Molecular Biology
Ain Shams University
Faculty of Pharmacy
COLLABORATION CALL: REPURPOSING OF SOME BIOACTIVE NATURAL PRODUCTS TO CONTROL COVID-19 INFECTION: A MOLECULAR DOCKING STUDY https://t.co/WkPvSf0Ouk #INPST #BIOACTIVE #NATURALPRODUCTS #COVID19 #INFECTION #MOLECULARDOCKING #globalhealth #OpenScience #scicomm #WomenInSTEM #STEM pic.twitter.com/s9vxNzBul4
— International Natural Product Sciences Taskforce (@_INPST) July 25, 2021