Accepted Paper Lists

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(ISBN 979-8-89480-840-6)
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Congratulations! Listed below are the papers selected for the JYE journal. We wish you the best and much success in all your future endeavors and continued explorations.

Computational Analysis of Neuraminidase Inhibitors’ Binding with Neuraminidase
by Adithya Puninchittaya
January 29, 2025

January 29, 2025

 

Abstract: This study explores the binding between various neuraminidase (NA) subtypes and neuraminidase inhibitor (NAI) drugs to compare their effectiveness using computational methods. Current literature focuses on experimental studies. Computational methods offer benefits as they require fewer resources and can provide rapid results. Computational methods can predict binding affinity between molecules based on their structural properties and energetics and estimate the strength of interactions between NA subtypes and NAIs, providing valuable insights into their effectiveness. The influenza virus is surrounded by two primary surface glycoproteins: hemagglutinin (HA) and neuraminidase (NA). NA cleaves sialic acid from host cell receptors to release newly created virions. NA activity can be constrained by neuraminidase inhibitors. This study investigated the interaction between N1, N4, and N8 NA subtypes and NAIs, including laninamivir, oseltamivir, peramivir, and zanamivir. In all cases, oseltamivir had the most favorable binding interaction with NA out of all the NAIs, suggesting that it is an inhibitor that can be used for treating influenza from the subtypes studied. The binding interaction analysis results suggest that oseltamivir’s high favorability might be due to the larger average number of interfacing residues in docking with NA subtypes. This research study extends past work by providing computational evidence for the effectiveness of oseltamivir across multiple NA subtypes and contributes to the theoretical understanding of anti-influenza drug development.

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