Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry
ISSN: 0975-413X
Amira M Ali
Faculty of Science, Physics Department, EgyptPublications
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Research Article
Calculated Infrared Spectral and Some Electronic Traits of Taurine Derivatives: A Novel Anti Zika Virus Agent
Author(s): Munirah A Almessiere, Amira M Ali, Noha A Saleh* and Zhiyong Zhu
Distinctive electronic and spectral attributes of taurine derivatives are useful for designing a novel anti-Zika virus drug design and architecture. In this view, we introduced some exotic functional chemical compounds that may act as potential inhibitors of Zika virus attack via the NS3 protease which in turn responsible for virus replication inside the host cell. The proposed structures were derived from the natural compound taurine (already existed in the human body) which conjugated to tetra-peptide sequences for NS2A/NS2B junction. Optimization and infrared vibration analysis confirmed the validity of the structure. Electronic configuration was studied using B3LYP approach with 6-31G** basis set to evaluate each proposed compound. Infrared spectral analysis follows each optimization at the same level of method. The introduced compounds show more stabi.. Read More»
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Citations : 15261
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