Structural Insights into the Interaction of Filovirus Glycoproteins with the Endosomal Receptor Niemann-Pick C1: A Computational Study

• Published in: Viruses Vol. 13; no. 5; p. 913
• Main Authors: Igarashi, Manabu, Hirokawa, Takatsugu, Takadate, Yoshihiro, Takada, Ayato
• Format: Journal Article
• Language: English
• Published: Basel MDPI AG 14.05.2021; MDPI
• Subjects: Amino acids; Binding sites; Brain diseases; Computer applications; Crystal structure; drug design; Drug development; Ebolavirus; Energy; filovirus; Genetic disorders; glycoprotein; Glycoproteins; head; Host preferences; humans; Hydrophobicity; Marburgvirus; Metabolic disorders; molecular dynamics; Molecular modelling; Niemann-Pick C1; Niemann-Pick disease; Npc1 protein; Protein structure; proteinases; Simulation; structure; Sudan; Viruses; Sudan

Filoviruses, including marburgviruses and ebolaviruses, have a single transmembrane glycoprotein (GP) that facilitates their entry into cells. During entry, GP needs to be cleaved by host proteases to expose the receptor-binding site that binds to the endosomal receptor Niemann-Pick C1 (NPC1) protei...