An in silico approach predicted potential therapeutics that can confer protection from maximum pathogenic Hantaviruses
作者： Salwa Mohd Mostafa , Abul BMMK Islam
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摘要: Aim: In silico approach is used to identify most potent epitope and drug against pathogenic Hantavirus which no approved therapeutics exist. Methods: Nucleocapsid protein sequences were retrieved, aligned conserved regions analyzed for the presence of B- T-cell epitopes, pockets potential drugs. Results: SYLRRTQSM B-cell epitopes SYLRRTQ YLRRTQSM appeared be highly conserved, antigenic, nonallergenic. The bound maximum alleles. Thus, would likely elicit both T- immunity. High-throughput screening Traditional Chinese Medicine database by docking technique revealed a drug, compound 46547 (1R,11S,15S,18S,20S,21R,22S)-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2,4,6-trien-9-one. Conclusion: Our results predict multiple strains Hantavirus, but requires validation in vivo experimentation.
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