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Diphtheria is an infectious human disorder affecting upper respiratory tract which is characterized by fever, sore throat, and malaise. It is caused by Corynebacterium diphtheria and other pathogenic strains of Corynebacterium. The pathogen invades in the nasopharynx and infects the host by releasing an exotoxin leading to the severe concerns in thekidneys, nervous system and cardiac muscles. Sometimes diphtheria infections may be fatal because of the circulatory failure caused by myocarditis.Hemeoxygenase is the rate limiting enzyme in heme degradation and catalyzes the NADPHcytochrome P450 reductase-dependent cleavage of heme to biliverdin with the release of iron and carbon monoxide. In the present paper we have performed molecular docking simulation based in-silico virtual screening of an NCI diversity set-II containing 1593 diverse ligands to identify potential inhibitor of the Heme oxidase enzyme of Corneybacterium diphtheria. The lead molecules are shortlisted on the basis of their binding energy and these molecules are supposed to be further evaluated experimentally for development of a newer therapy for the treatment of diphtheria.

Molecular Docking Simulation based Virtual Screening for The Design of Potential Inhibitors of Heme Oxygenase of Corney Bacterium Diphtheria