Computer development of new drugs

Authors

  • Martiniano Bello Instituto Politécnico Nacional

DOI:

https://doi.org/10.22201/cuaieed.16076079e.2021.22.6.5

Keywords:

drug design, molecular docking, virtual screening, molecular dynamics

Abstract

This article describes the usefulness of computational methods for the identification and design of new compounds for disease treatment. The crucial steps for these methods are described and examples of different drugs of commercial use, designed using these computational strategies, are mentioned.

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Author Biography

Martiniano Bello, Instituto Politécnico Nacional

Es profesor titular C en la Escuela Superior de Medicina del Instituto Politécnico Nacional. Su investigación actual se centra en química computacional, que emplea para descubrimiento de nuevos fármacos anticáncer, mediante el diseño racional de fármacos o el método de reposicionamiento de fármacos. Cuenta con más de 70 publicaciones con arbitraje internacional y con un índice H de 14 en Scopus.

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Published

2021-11-03