https://socictopen.socict.org/files/original/d688a779a69d2d7c29cc46ebe83b412c.pdf 789a4e4c06005e81a63bcc73523b0058 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Coronavirus Description An account of the resource Dominio científico: Coronavirus Text A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text. Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Discovery of a Novel CCR5 Antagonist Lead Compound Through Fragment Assembly Creator An entity primarily responsible for making the resource Hualiang Jiang, Jian Li, Xin Xie, Yu ZHANG, Jin Zhu, Kunqian Yu, Enkun Zhou, Yanqing Liu Description An account of the resource CCR5, as the major co-receptor for HIV-1 entry, is an attractive novel target for the pharmaceutical industry in the HIV-1 therapeutic area. In this study, based on the structures of maraviroc and 1,4-bis(4-(7-chloroquinolin-4-yl)piperazin-1-yl)butane-1,4-dione (1), which was identified using structure-based virtual screening in conjunction with a calcium mobilization assay, a series of novel small molecule CCR5 antagonists have been designed and synthesized through fragment assembly. Preliminary SARs were obtained, which are in good agreement with the molecular binding model and should prove helpful for future antagonist design. The novel scaffold presented here might also be useful in the development of maraviroc-derived second generation CCR5 antagonists. Date A point or period of time associated with an event in the lifecycle of the resource 2008 Subject The topic of the resource CCR5 antagonist, fragment assembly, HIV-1, molecular modeling Identifier An unambiguous reference to the resource within a given context DOI: Source A related resource from which the described resource is derived Molecules Publisher An entity responsible for making the resource available MDPI AG Coverage The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant Organic chemistry Language A language of the resource EN