Molecular Dynamics Simulation of Inhibition of Orotidine ۵’-Monophosphate Decarboxylase Protein by ۶-Hydroxy-UMP (BMP) Drug

Orotidine ۵’-monophosphate decarboxylase (OMPDC) is a protein and can act as a target for drugs that are directed against RNA viruses, such as poxviruses and flaviviruses. OMPDC’s inhibitors, such as BMP, can also be effective against such biological agents as West Nile virus, Plasmodia, including the malaria causing Plasmodium falciparum, OMPDC is present in cancerous cells and hence BMP can also act as an anticancer drug. OMPDC produces a nucleotide called uridine ۵’-monophosphate (UMP) from which BMP itself can be produced by substitution of one of its carbon atoms. Since the mechanism by which BMP inhibits OMPDC has been clarified, we intent to provide an insight into this mechanism by performing atomistic level computer-based simulations [۱-۴].

کلیدواژه ها:

Protein Inhibition ، Molecular Dynamics Simulation ، OMPDC ، BMP