Ontology highlight
ABSTRACT:
SUBMITTER: Parker EN
PROVIDER: S-EPMC6953607 | biostudies-literature | 2020 Jan
REPOSITORIES: biostudies-literature
Parker Erica N EN Drown Bryon S BS Geddes Emily J EJ Lee Hyang Yeon HY Ismail Nahed N Lau Gee W GW Hergenrother Paul J PJ
Nature microbiology 20191118 1
Gram-negative bacterial infections are a significant public health concern, and the lack of new drug classes for these pathogens is linked to the inability of most drug leads to accumulate inside Gram-negative bacteria<sup>1-7</sup>. Here, we report the development of a web application-eNTRyway-that predicts compound accumulation (in Escherichia coli) from its structure. In conjunction with structure-activity relationships and X-ray data, eNTRyway was utilized to re-design Debio-1452-a Gram-posi ...[more]