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Metallo\u2010\u03b2\u2010lactamases, such as NDM\u20101, use catalytic zinc ions in their active sites and hydrolyze nearly all clinically available \u03b2\u2010lactam antibiotics. Inhibitors of metallo\u2010\u03b2\u2010lactamases are urgently needed to overcome this resistance mechanism. Zinc\u2010binding compounds are promising leads for inhibitor development, as many NDM\u20101 inhibitors contain zinc\u2010binding pharmacophores. Here, we evaluated 13 chelating agents containing benzimidazole and benzoxazole scaffolds as NDM\u20101 inhibitors. Six of the compounds showed potent inhibitory activity with IC<jats:sub>50<\/jats:sub> values as low as 0.38\u2005\u03bcM, and several compounds restored the meropenem susceptibility of NDM\u20101\u2010expressing <jats:italic>E. coli<\/jats:italic>. Spectroscopic and docking studies suggest ternary complex formation as the mechanism of inhibition, making these compounds promising for development as NDM\u20101 inhibitors.<\/jats:p>","DOI":"10.1002\/cmdc.202000607","type":"journal-article","created":{"date-parts":[[2020,11,19]],"date-time":"2020-11-19T23:56:41Z","timestamp":1605830201000},"page":"654-661","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":23,"title":["Benzimidazole and Benzoxazole Zinc Chelators as Inhibitors of Metallo\u2010\u03b2\u2010Lactamase NDM\u20101"],"prefix":"10.1002","volume":"16","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-2113-3449","authenticated-orcid":false,"given":"Abigail C.","family":"Jackson","sequence":"first","affiliation":[{"name":"Department of Chemistry Duke University  Durham NC 27708 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4381-3303","authenticated-orcid":false,"given":"Tyler B. J.","family":"Pinter","sequence":"additional","affiliation":[{"name":"Department of Chemistry Duke University  Durham NC 27708 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Daniel C.","family":"Talley","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biochemistry University of Maryland  Baltimore County Baltimore MD 21250 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Adnan","family":"Baker\u2010Agha","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biochemistry University of Maryland  Baltimore County Baltimore MD 21250 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dhruvil","family":"Patel","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biochemistry University of Maryland  Baltimore County Baltimore MD 21250 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4407-3477","authenticated-orcid":false,"given":"Paul J.","family":"Smith","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biochemistry University of Maryland  Baltimore County Baltimore MD 21250 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9015-0998","authenticated-orcid":false,"given":"Katherine J.","family":"Franz","sequence":"additional","affiliation":[{"name":"Department of Chemistry Duke University  Durham NC 27708 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2020,11,19]]},"reference":[{"key":"e_1_2_7_1_1","unstructured":"\u00a0"},{"key":"e_1_2_7_2_2","doi-asserted-by":"publisher","DOI":"10.1021\/cr030102i"},{"key":"e_1_2_7_3_2","doi-asserted-by":"publisher","DOI":"10.1128\/CMR.8.4.557"},{"key":"e_1_2_7_4_1","unstructured":"NDM-1 is an abbreviation for New Delhi metallo \u03b2-lactamase 1. This name associates bacterial disease with a specific geographical region and therefore a specific group of people who live there. Naming of diseases and disease-associated proteins or other agents in this way has the potential to lead to discrimination and xenophobia. Since efforts to rename NDM-1 have not been successful (see ref. [3]) we recommend use of the abbreviation \u201cNDM-1\u201d only and avoidance of use of the full name of the enzyme."},{"key":"e_1_2_7_5_1","unstructured":"\u00a0"},{"key":"e_1_2_7_6_2","doi-asserted-by":"publisher","DOI":"10.4103\/0973-1229.77446"},{"key":"e_1_2_7_7_2","first-page":"213","volume":"137","author":"Mohapatra P. R.","year":"2013","journal-title":"Indian J. Med. 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