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Mini-Reviews in Medicinal Chemistry


ISSN (Print): 1389-5575
ISSN (Online): 1875-5607


Multi-Scale Modeling in Drug Discovery Against Infectious Diseases

Author(s): Alejandro Speck-Planche*

Volume 19, Issue 19, 2019

Page: [1560 - 1563] Pages: 4

DOI: 10.2174/138955751919191024110000


This work discusses the idea that drug discovery, instead of being performed through a series of filtering-based stages, should be viewed as a multi-scale optimization problem. Here, the most promising multi-scale models are analyzed in terms of their applications, advantages, and limitations in the search for more potent and safer chemicals against infectious diseases. Multi-scale de novo drug design is highlighted as an emerging paradigm, able to accelerate the discovery of more effective antimicrobial agents.

Keywords: Antimicrobial, infectious diseases, mtk-QSBER, multi-scale de novo drug design, pharmacokinetic, toxicity.

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