Natural product drug discovery in the artificial intelligence era

14 de diciembre de 2021

Les invitamos a leer el artículo: "Natural product drug discovery in the artificial intelligence era", trabajo del Dr. Fabien Plisson, investigador de la UGA-Langebio, junto con Víctor Aldas, estudiante de maestría en el posgrado de Biología Integrativa.

Autores: F. I. Saldívar-González, V. D. Aldas-Bulos, J. L. Medina-Franco and F. Plisson.

Felicitamos al estudiantado y profesorado que contribuyeron en esta investigación por su arduo trabajo.

Abstract: Natural products (NPs) are primarily recognized as privileged structures to interact with protein drug targets. Their unique characteristics and structural diversity continue to marvel scientists for developing NP-inspired medicines, even though the pharmaceutical industry has largely given up. High-performance computer hardware, extensive storage, accessible software and affordable online education have democratized the use of artificial intelligence (AI) in many sectors and research areas. The last decades have introduced natural language processing and machine learning algorithms, two subfields of AI, to tackle NP drug discovery challenges and open up opportunities. In this article, we review and discuss the rational applications of AI approaches developed to assist in discovering bioactive NPs and capturing the molecular “patterns” of these privileged structures for combinatorial design or target selectivity.