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COVID 19
- sars cov2 - has negative impact to health, social, economic
- march 11, 2020
favipirapir = anti influenza
chloroquine and hydroxo = anti malaria
remdesivir = ebola
lopinavir = anti hiv
dexamethasone = anti inflammatorry
drug development hindrances
- challenging
- expensive
- time consuming
> accelerated by CADD or computer aided drug design = reduce expense, minimize failure, hasten the research cycle of drug discovery.
--- in vitro, in vivo, in silico.
^ in insilico drug discovery
SARS COV2 genomics > target identification and validation > lead discovery and optimization > pre clinical tests > clinical trials
> 2 types of methods in insilico
-SBDD
-LBDD
> chemical property
-structural prop
-physicochemical
-adme = molecular weight, MlogP, Hband donor/acceptor, violation
---molecular docking -
---molecular dynamics - to verify drug component is stable in human proteins
SARS COV2 LIFE CYCLE
target of interest:
-spike protein(binding domain)
--ace2
--grp78 binding region
-PLPro(modification)
-3CLpro(modification)
-rdrp(replication)
-nsp15(against immunity)
FUNGI METABOLITES
MYXOBACTERIA METABOLITES
both against SARS COV 2
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