Is it possible to identify new drugs from your computer?

Authors

DOI:

https://doi.org/10.22201/cuaieed.16076079e.2024.25.1.6

Keywords:

Databases, in silico, molecular docking, natural products, bioinformatics

Abstract

How are new drugs obtained? Where do new products to decontaminate a lake or soil come from? Plants and microorganisms produce millions of molecules that can have one of these important biotechnological applications. Until a few years ago, biotechnological characterization was an expensive and complicated process. However, the bioinformatics revolution brought with it biological databases that, in conjunction with the development of technology, have allowed the design and development of algorithms to know the biological function of a compound. Thanks to this, it is now possible to predict biological activities from a wide variety of molecules, before undertaking an experiment in the laboratory. The objective of this article is to share that it is possible to characterize natural products, such as drugs, from a personal computer, using relevant databases and in silico computational methods, and then verify the biological activity with in vitro tests.

Author Biographies

Tere Parra, Facultad de Medicina Veterinaria y Zootecnia, Universidad Autónoma de Yucatán

I am a biology student at the Universidad Autónoma de Yucatán. My current research focuses are on: 1) Computational methods in precision oncology, 2) Structural bioinformatics and, 3) In silico methods for pharmacological characterization. I participated in the Mexican Biology Olympiad and was one of the coaches of the Yucatan team for the Mexican Biology Olympiad. I was awarded by the Mexican Academy of Sciences. I am an active member in bioinformatics in the iGEM-Sciencopic team and in the startup Synthethic Biobots.

Gabriela Mancilla, Faculty of Veterinary Medicine and Zootechnics, Autonomous University of Yucatan

Degree in Chemistry from the Faculty of Chemical Sciences of the Autonomous University of San Luis Potosí and PhD in Chemical Sciences from the Faculty of Sciences of the University of Cádiz (Spain). Two post-doctoral fellowships at IPICYT and Colegio de Postgraduados. Currently, CONACYT Researcher commissioned to the Faculty of Veterinary Medicine and Zootechnics of the Autonomous University of Yucatan, in the research line of secondary plant compounds for the animal parasites control, to determine the action mechanism of the compounds and the nutraceutical and/or therapeutic value of plants for its application in animal health. Member of the National System of Researchers, level 1. I have 17 research articles and 4 divulgation articles, 1 published book, 2 book chapters, 25 presentations at national and international conferences, 11 seminars, 3 science workshops, 1 continuing education course, 4 bachelor's theses, 1 master's, 1 doctorate, and 5 international internships.

Karina, Department of Basic Sciences. Technological Institute of China

Degree in Industrial Biochemical Engineering from UAM-Iztapalapa, Mexico City, Master in Biochemical Sciences from the Institute of Biotechnology-UNAM Cuernavaca, Mor., and Doctor of Science in the Specialty of Plant Biotechnology at the Advanced Genomics Unit (UGA)-CINVESTAV Irapuato, Gto. I did a Postdoctorate in the Laboratory of the Evolution of Metabolic Diversity of the UGA-CINVESTAV-Irapuato. I was commissioned as a CONACYT Professor at the Campeche Campus of Postgraduate College and I am currently a Teacher and Researcher at the Technological Institute of China-TecNM. Six international peer-reviewed publications (JCR), one CONACYT article, one preprint article and one outreach article. I have been an advisor to master's and professional residency students. A master's thesis. I have taught more than twenty courses at the bachelor's and master's levels in national and international institutions. Six conferences by invitation in Research Centers and Universities. Posters and oral presentations at eight international and national conferences. More than twenty events and materials for the science divulgation. My research topics are: Bioprospection through metagenomics and genomic mining of bacterial communities in ecological niches of the tropics; Genetics and biochemistry of biosynthetic gene clusters and natural products found by genome mining in bacteria; and Comparative genomics for the understanding, diagnosis and control of plant diseases caused by microorganisms.

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Published

2024-01-25

Issue

Vol. 25 No. 1 (2024): El inexorable tiempo: un viaje de 24 años hacia el conocimiento

Section

Varietas

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