Pouliot Martin, Jeanmart Stephane
Syngenta Crop Protection Research , Schaffhauserstrasse, 4332 Stein, Switzerland.
J Med Chem. 2016 Jan 28;59(2):497-503. doi: 10.1021/acs.jmedchem.5b00361. Epub 2015 Sep 8.
Every week, articles disclosing new antifungal leads reported as promising starting points for optimization projects are published. In many cases, the mechanism that accounts for their antifungal activity has not been fully elucidated. More significantly, the detrimental impact that could result from certain embedded chemical features has been underestimated or even overlooked. In the course of our research in the agrochemical area, we have concluded that in many cases such leads are actually nonoptimizable because they either contain what are now recognized as pan assay interference compounds (PAINS) or other promiscuous groups. This article is aimed at highlighting the pitfalls we have encountered and hopefully to steer other research groups away from them.
每周都会发表一些文章，披露新的抗真菌先导化合物，这些化合物被报道为优化项目有前景的起始点。在许多情况下，其抗真菌活性的机制尚未完全阐明。更重要的是，某些内在化学特征可能产生的有害影响被低估甚至忽视了。在我们农药领域的研究过程中，我们得出结论，在许多情况下，这类先导化合物实际上无法优化，因为它们要么含有现在被认为是泛分析干扰化合物（PAINS）的物质，要么含有其他混杂基团。本文旨在突出我们遇到的陷阱，并希望引导其他研究团队避开这些陷阱。
