In Silico Design and Structural Optimization Using Artificial Intelligence Models for the Synthesis of New Antiviral Compounds and the Determination of Their Anti-Dengue Activity Using Nuclear Magnetic Resonance.

SIN RESUMEN

Using of artificial intelligence tools and computational molecular screening to design new inhibitory molecules, which will be synthesized and evaluated for their biological activity against dengue RNA polymerase using in vitro nuclear magnetic resonance (NMR) tests.

OE1:The use of artificial intelligence tools and computational simulations to design and optimize potential DENV RNA polymerase inhibitors. OE2:To synthesize molecules that exhibit the best parameters after rational design and characterize their structure using various spectroscopic techniques. OE3:Analysis of the biological activity and binding affinity of the synthesized molecules against DENV RNA polymerase using in vitro assays with STD-NMR. OE4:Training of two students in organic synthesis and molecular design. OE5:Communication the results through publications and scientific outreach.

Investigacion basica

Disciplinario

CONCURSO ANUAL DE INVESTIGACIÓN

• 104 — Síntesis química

Ciencias naturales - Química - Química orgánica

PONTIFICIA UNIVERSIDAD CATÓLICA DEL PERÚ