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DHKS PNAI azo 24-3-2020.pdf (557.84 kB)
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PROTEIN-NUCLEIC ACID INTERFACE (PNAI) INHIBITOR DRUG MOLECULES FOR SARS-COV-2

preprint
submitted on 24.03.2020 and posted on 25.03.2020 by Hamdullah Khadim Sheikh, Tanzila Arshad, Zainab Sher Mohammad, Iqra Arshad, Mohtasheemul Hassan

In this research we used the structure of SARS-CoV-2 related, recently mapped, atomic structure of nsp10/16 proteins for docking with some known drug molecular structures at pH 7 and 5. Chosen molecules were azo -N=N- and -COOH derivatives. It was revealed that the molecules showed good binding energy with nsp10/16 protein at both pH. These molecules can act as protein-nucleic acid interface (PNAI) inhibitor drug molecules. Such molecules can be used in combination with polymerase and protease inhibitors for treatment of SARS-CoV-2.

History

Email Address of Submitting Author

hamdullah.khadim.sheikh@gmail.com

Institution

University of Karachi

Country

Pakistan

ORCID For Submitting Author

0000-0003-4486-2684

Declaration of Conflict of Interest

None

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