The essential roles of chemistry in high-throughput screening triage

摘要: It is increasingly clear that academic high-throughput screening (HTS) and virtual HTS triage suffers from a lack of scientists trained in the art science early drug discovery chemistry. Many recent publications report compounds by are most likely artifacts or promiscuous bioactive compounds, these results not placed into context previous studies. For to be successful, it our contention there must exist an partnership between biologists medicinal chemists. Their combined skill sets necessary design robust assays efficient workflows will weed out assay artifacts, false positives, intractable hits, efforts ultimately give projects better chance at identifying truly useful chemical matter. Expertise chemistry, cheminformatics purification sciences (analytical chemistry) can enhance post-HTS process quickly removing problematic chemotypes consideration, while simultaneously prioritizing more promising matter for follow-up testing. only when chemists collaborate effectively manifest its full promise.