Identification of potential inhibitors targeting yellow fever virus helicase through ligand and structure-based computational studies.

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Tác giả: Hafiz Saqib Ali, Nasser S Awwad, Hala A Ibrahium, Imtiaz Khan, Nehal Rana, Mujeeb Ur Rehman, Sumera Zaib

Ngôn ngữ: eng

Ký hiệu phân loại: 230.0071 Christianity Christian theology

Thông tin xuất bản: England : Journal of biomolecular structure & dynamics , 2025

Mô tả vật lý:

Bộ sưu tập: NCBI

ID: 173188

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Yellow fever is a flavivirus having plus-sensed RNA which encodes a single polyprotein. Host proteases cut this polyprotein into seven nonstructural proteins including a vital NS3 protein. The present study aims to identify the most effective inhibitor against the helicase (NS3) using different advanced ligand and structure-based computational studies. A set of 300 ligands was selected against helicase by chemical structural similarity model, which are similar to

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