Structure-guided approach identifies a novel class of HIV-1 ribonuclease H inhibitors: binding mode insights through magnesium complexation and site-directed mutagenesis studies

Author:

Poongavanam Vasanthanathan12345ORCID,Corona Angela678ORCID,Steinmann Casper12345ORCID,Scipione Luigi91011128ORCID,Grandi Nicole678ORCID,Pandolfi Fabiana91011128ORCID,Di Santo Roberto91011128ORCID,Costi Roberta91011128ORCID,Esposito Francesca678ORCID,Tramontano Enzo6781314ORCID,Kongsted Jacob12345ORCID

Affiliation:

1. Department of Physics

2. Chemistry and Pharmacy

3. University of Southern Denmark

4. DK-5230 Odense M

5. Denmark

6. Department of Life and Environmental Sciences

7. University of Cagliari

8. Italy

9. Dipartimento di Chimica e Tecnologie del Farmaco

10. Istituto Pasteur-Fondazione Cenci Bolognetti

11. “Sapienza” Università di Roma

12. Roma

13. Istituto di Ricerca Genetica e Biomedica

14. Consiglio Nazionale delle Ricerche (CNR)

Abstract

In silico methods identified a new class of inhibitors for HIV-1 RT RNase H and magnesium complexation study reveals the binding mode of these compounds.

Funder

MIUR

Publisher

Royal Society of Chemistry (RSC)

Subject

Pharmaceutical Science,Biochemistry,Drug Discovery,Molecular Medicine,Pharmacology,Organic Chemistry

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