{"id":"https://openalex.org/W3091548084","doi":"https://doi.org/10.1021/acs.jcim.0c01051","title":"Dissecting the Molecular Mechanism of Colistin Resistance in <i>mcr</i>-1 Bacteria","display_name":"Dissecting the Molecular Mechanism of Colistin Resistance in <i>mcr</i>-1 Bacteria","publication_year":2020,"publication_date":"2020-10-05","ids":{"openalex":"https://openalex.org/W3091548084","doi":"https://doi.org/10.1021/acs.jcim.0c01051","mag":"3091548084","pmid":"https://pubmed.ncbi.nlm.nih.gov/33017152"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.0c01051","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c01051","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5100368371","display_name":"Jianguo Li","orcid":"https://orcid.org/0000-0002-5544-6451"},"institutions":[{"id":"https://openalex.org/I4210148498","display_name":"Bioinformatics Institute","ror":"https://ror.org/044w3nw43","country_code":"SG","type":"facility","lineage":["https://openalex.org/I115228651","https://openalex.org/I2801752549","https://openalex.org/I4210148498"]},{"id":"https://openalex.org/I115228651","display_name":"Agency for Science, Technology and Research","ror":"https://ror.org/036wvzt09","country_code":"SG","type":"government","lineage":["https://openalex.org/I115228651"]},{"id":"https://openalex.org/I4210116917","display_name":"Singapore Eye Research Institute","ror":"https://ror.org/02crz6e12","country_code":"SG","type":"facility","lineage":["https://openalex.org/I4210116917"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"Jianguo Li","raw_affiliation_strings":["Bioinformatics Institute, A*STAR, 30 Biopolis street, Matrix, Singapore 138671","Singapore Eye Research Institute, Singapore 169856, Singapore"],"affiliations":[{"raw_affiliation_string":"Bioinformatics Institute, A*STAR, 30 Biopolis street, Matrix, Singapore 138671","institution_ids":["https://openalex.org/I4210148498","https://openalex.org/I115228651"]},{"raw_affiliation_string":"Singapore Eye Research Institute, Singapore 169856, Singapore","institution_ids":["https://openalex.org/I4210116917"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007551999","display_name":"Roger W. Beuerman","orcid":"https://orcid.org/0000-0002-0725-9336"},"institutions":[{"id":"https://openalex.org/I4210126319","display_name":"Duke-NUS Medical School","ror":"https://ror.org/02j1m6098","country_code":"SG","type":"education","lineage":["https://openalex.org/I165932596","https://openalex.org/I170897317","https://openalex.org/I4210126319"]},{"id":"https://openalex.org/I4210116917","display_name":"Singapore Eye Research Institute","ror":"https://ror.org/02crz6e12","country_code":"SG","type":"facility","lineage":["https://openalex.org/I4210116917"]}],"countries":["SG"],"is_corresponding":true,"raw_author_name":"Roger Beuerman","raw_affiliation_strings":["Duke-NUS Graduate Medical School, Eye Academic Clinical Program, 169857 Singapore","Singapore Eye Research Institute, Singapore 169856, Singapore"],"affiliations":[{"raw_affiliation_string":"Duke-NUS Graduate Medical School, Eye Academic Clinical Program, 169857 Singapore","institution_ids":["https://openalex.org/I4210126319"]},{"raw_affiliation_string":"Singapore Eye Research Institute, Singapore 169856, Singapore","institution_ids":["https://openalex.org/I4210116917"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5045760818","display_name":"Chandra Verma","orcid":"https://orcid.org/0000-0003-0733-9798"},"institutions":[{"id":"https://openalex.org/I115228651","display_name":"Agency for Science, Technology and Research","ror":"https://ror.org/036wvzt09","country_code":"SG","type":"government","lineage":["https://openalex.org/I115228651"]},{"id":"https://openalex.org/I165932596","display_name":"National University of Singapore","ror":"https://ror.org/01tgyzw49","country_code":"SG","type":"education","lineage":["https://openalex.org/I165932596"]},{"id":"https://openalex.org/I4210148498","display_name":"Bioinformatics Institute","ror":"https://ror.org/044w3nw43","country_code":"SG","type":"facility","lineage":["https://openalex.org/I115228651","https://openalex.org/I2801752549","https://openalex.org/I4210148498"]},{"id":"https://openalex.org/I172675005","display_name":"Nanyang Technological University","ror":"https://ror.org/02e7b5302","country_code":"SG","type":"education","lineage":["https://openalex.org/I172675005"]}],"countries":["SG"],"is_corresponding":true,"raw_author_name":"Chandra S. Verma","raw_affiliation_strings":["Bioinformatics Institute, A*STAR, 30 Biopolis street, Matrix, Singapore 138671","Department of Biological Sciences, National University of Singapore, 117543 Singapore","School of Biological Sciences, Nanyang Technological University,637551 Singapore"],"affiliations":[{"raw_affiliation_string":"Bioinformatics Institute, A*STAR, 30 Biopolis street, Matrix, Singapore 138671","institution_ids":["https://openalex.org/I4210148498","https://openalex.org/I115228651"]},{"raw_affiliation_string":"Department of Biological Sciences, National University of Singapore, 117543 Singapore","institution_ids":["https://openalex.org/I165932596"]},{"raw_affiliation_string":"School of Biological Sciences, Nanyang Technological University,637551 Singapore","institution_ids":["https://openalex.org/I172675005"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5007551999","https://openalex.org/A5045760818"],"corresponding_institution_ids":["https://openalex.org/I115228651","https://openalex.org/I165932596","https://openalex.org/I172675005","https://openalex.org/I4210116917","https://openalex.org/I4210126319","https://openalex.org/I4210148498"],"apc_list":null,"apc_paid":null,"fwci":0.6644,"has_fulltext":false,"cited_by_count":18,"citation_normalized_percentile":{"value":0.61210643,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"60","issue":"10","first_page":"4975","last_page":"4984"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10147","display_name":"Antibiotic Resistance in Bacteria","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/1313","display_name":"Molecular Medicine"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10147","display_name":"Antibiotic Resistance in Bacteria","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/1313","display_name":"Molecular Medicine"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11103","display_name":"Antimicrobial Peptides and Activities","score":0.9944000244140625,"subfield":{"id":"https://openalex.org/subfields/2404","display_name":"Microbiology"},"field":{"id":"https://openalex.org/fields/24","display_name":"Immunology and Microbiology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10120","display_name":"Bacterial Genetics and Biotechnology","score":0.9929999709129333,"subfield":{"id":"https://openalex.org/subfields/1311","display_name":"Genetics"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/polymyxin","display_name":"Polymyxin","score":0.8289273381233215},{"id":"https://openalex.org/keywords/colistin","display_name":"Colistin","score":0.8269840478897095},{"id":"https://openalex.org/keywords/bacterial-outer-membrane","display_name":"Bacterial outer membrane","score":0.6391938328742981},{"id":"https://openalex.org/keywords/polymyxin-b","display_name":"Polymyxin B","score":0.5894371271133423},{"id":"https://openalex.org/keywords/bacteria","display_name":"Bacteria","score":0.5431626439094543},{"id":"https://openalex.org/keywords/lipid-a","display_name":"Lipid A","score":0.5415042638778687},{"id":"https://openalex.org/keywords/membrane","display_name":"Membrane","score":0.5045417547225952},{"id":"https://openalex.org/keywords/gram-negative-bacteria","display_name":"Gram-negative bacteria","score":0.49726536870002747},{"id":"https://openalex.org/keywords/lipid-bilayer","display_name":"Lipid bilayer","score":0.4878285229206085},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4786168932914734},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.46461355686187744},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.3667064309120178},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.3083627223968506},{"id":"https://openalex.org/keywords/antibiotics","display_name":"Antibiotics","score":0.19053509831428528},{"id":"https://openalex.org/keywords/escherichia-coli","display_name":"Escherichia coli","score":0.06820926070213318}],"concepts":[{"id":"https://openalex.org/C2780675486","wikidata":"https://www.wikidata.org/wiki/Q423765","display_name":"Polymyxin","level":3,"score":0.8289273381233215},{"id":"https://openalex.org/C2779259085","wikidata":"https://www.wikidata.org/wiki/Q418946","display_name":"Colistin","level":3,"score":0.8269840478897095},{"id":"https://openalex.org/C146587185","wikidata":"https://www.wikidata.org/wiki/Q258248","display_name":"Bacterial outer membrane","level":4,"score":0.6391938328742981},{"id":"https://openalex.org/C2780026444","wikidata":"https://www.wikidata.org/wiki/Q1088175","display_name":"Polymyxin B","level":3,"score":0.5894371271133423},{"id":"https://openalex.org/C523546767","wikidata":"https://www.wikidata.org/wiki/Q10876","display_name":"Bacteria","level":2,"score":0.5431626439094543},{"id":"https://openalex.org/C144464004","wikidata":"https://www.wikidata.org/wiki/Q3077338","display_name":"Lipid A","level":3,"score":0.5415042638778687},{"id":"https://openalex.org/C41625074","wikidata":"https://www.wikidata.org/wiki/Q176088","display_name":"Membrane","level":2,"score":0.5045417547225952},{"id":"https://openalex.org/C2776051709","wikidata":"https://www.wikidata.org/wiki/Q632006","display_name":"Gram-negative bacteria","level":4,"score":0.49726536870002747},{"id":"https://openalex.org/C39944091","wikidata":"https://www.wikidata.org/wiki/Q423279","display_name":"Lipid bilayer","level":3,"score":0.4878285229206085},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4786168932914734},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.46461355686187744},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.3667064309120178},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.3083627223968506},{"id":"https://openalex.org/C501593827","wikidata":"https://www.wikidata.org/wiki/Q12187","display_name":"Antibiotics","level":2,"score":0.19053509831428528},{"id":"https://openalex.org/C547475151","wikidata":"https://www.wikidata.org/wiki/Q25419","display_name":"Escherichia coli","level":3,"score":0.06820926070213318},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000900","descriptor_name":"Anti-Bacterial Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000900","descriptor_name":"Anti-Bacterial Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000900","descriptor_name":"Anti-Bacterial Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D003091","descriptor_name":"Colistin","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D003091","descriptor_name":"Colistin","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D003091","descriptor_name":"Colistin","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D006090","descriptor_name":"Gram-Negative Bacteria","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006090","descriptor_name":"Gram-Negative Bacteria","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006090","descriptor_name":"Gram-Negative Bacteria","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010957","descriptor_name":"Plasmids","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010957","descriptor_name":"Plasmids","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010957","descriptor_name":"Plasmids","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D024881","descriptor_name":"Drug Resistance, Bacterial","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D024881","descriptor_name":"Drug Resistance, Bacterial","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D024881","descriptor_name":"Drug Resistance, Bacterial","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.0c01051","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c01051","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:33017152","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/33017152","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Clean water and sanitation","score":0.41999998688697815,"id":"https://metadata.un.org/sdg/6"}],"awards":[{"id":"https://openalex.org/G4783080316","display_name":null,"funder_award_id":"NMRC/BNIG/2016/2014","funder_id":"https://openalex.org/F4320334737","funder_display_name":"National Medical Research Council"},{"id":"https://openalex.org/G6988329653","display_name":null,"funder_award_id":"NMRC/TCR/002-SERI/2008/R618","funder_id":"https://openalex.org/F4320334737","funder_display_name":"National Medical Research Council"}],"funders":[{"id":"https://openalex.org/F4320334737","display_name":"National Medical Research Council","ror":"https://ror.org/04x3cxs03"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":61,"referenced_works":["https://openalex.org/W138059915","https://openalex.org/W1533609388","https://openalex.org/W1965845277","https://openalex.org/W1966478139","https://openalex.org/W1987684917","https://openalex.org/W1989761771","https://openalex.org/W1997152791","https://openalex.org/W2006431667","https://openalex.org/W2022603060","https://openalex.org/W2027154929","https://openalex.org/W2028699972","https://openalex.org/W2029667189","https://openalex.org/W2043528043","https://openalex.org/W2049748661","https://openalex.org/W2052038479","https://openalex.org/W2056205759","https://openalex.org/W2057671464","https://openalex.org/W2058919317","https://openalex.org/W2065687865","https://openalex.org/W2071413887","https://openalex.org/W2073556554","https://openalex.org/W2078622972","https://openalex.org/W2085851122","https://openalex.org/W2086844864","https://openalex.org/W2087865186","https://openalex.org/W2091821114","https://openalex.org/W2092511209","https://openalex.org/W2097099115","https://openalex.org/W2103909517","https://openalex.org/W2117795567","https://openalex.org/W2120227455","https://openalex.org/W2126881040","https://openalex.org/W2128572087","https://openalex.org/W2129711520","https://openalex.org/W2144062946","https://openalex.org/W2146128861","https://openalex.org/W2147161211","https://openalex.org/W2147706925","https://openalex.org/W2165179452","https://openalex.org/W2518579334","https://openalex.org/W2533293950","https://openalex.org/W2559255286","https://openalex.org/W2588436517","https://openalex.org/W2604518601","https://openalex.org/W2749267305","https://openalex.org/W2770095722","https://openalex.org/W2770937934","https://openalex.org/W2789500779","https://openalex.org/W2796584644","https://openalex.org/W2809476734","https://openalex.org/W2916084778","https://openalex.org/W2917588598","https://openalex.org/W2962951846","https://openalex.org/W2997132070","https://openalex.org/W3000446666","https://openalex.org/W3006186050","https://openalex.org/W3008267219","https://openalex.org/W3018849032","https://openalex.org/W3024693033","https://openalex.org/W4230543984","https://openalex.org/W4249304889"],"related_works":["https://openalex.org/W2177671791","https://openalex.org/W2123135656","https://openalex.org/W2028327871","https://openalex.org/W2967418543","https://openalex.org/W2358053226","https://openalex.org/W2113219792","https://openalex.org/W2151326498","https://openalex.org/W4233704688","https://openalex.org/W2566076583","https://openalex.org/W4386093205"],"abstract_inverted_index":{"Colistin":[0],"or":[1],"polymyxin":[2,108,202],"B":[3],"is":[4,84,117],"the":[5,42,54,66,77,100,103,120,129,133,153,163,174,182,187,195,213,223],"last":[6],"resort":[7],"antibiotic":[8],"to":[9,41,194,231],"treat":[10,232],"infections":[11],"of":[12,24,44,56,80,99,105,136,155,159,197,216,225],"multidrug-resistant":[13],"Gram-negative":[14,25,67,82],"bacteria":[15,26,83,138],"by":[16,86],"disrupting":[17],"their":[18],"outer":[19,70,78,134],"membranes.":[20,101],"The":[21,72,204],"recent":[22],"emergence":[23],"that":[27,76],"demonstrate":[28],"colistin":[29,34,57,217],"resistance,":[30],"particularly":[31],"plasmid-mediated":[32],"mobile":[33],"resistance":[35,46,58,193,218],"(<i>mcr</i>),":[36],"poses":[37],"a":[38,60,140,145,156],"big":[39],"challenge":[40],"treatment":[43],"multidrug":[45],"infections.":[47,234],"Using":[48],"molecular":[49],"dynamics":[50],"simulations,":[51],"we":[52],"explore":[53],"mechanism":[55],"in":[59,124,132,169,192],"model":[61],"lipid":[62,130,183],"A":[63,131],"bilayer":[64],"mimicking":[65],"<i>mcr</i>-1":[68,137,233],"bacterial":[69],"membrane.":[71,175],"simulation":[73,205],"results":[74,191,206],"reveal":[75],"membrane":[79,125,135,188,227],"normal":[81],"stabilized":[85],"salt":[87,111],"bridges":[88,112],"between":[89,162,181],"positively":[90,106],"charged":[91,96,107],"divalent":[92],"ions":[93],"and":[94,115,165,190,219,229],"negatively":[95],"phosphate":[97,166],"groups":[98],"In":[102,127],"presence":[104],"B,":[109],"these":[110],"are":[113],"disrupted,":[114],"calcium":[116],"released":[118],"into":[119],"aqueous":[121],"phase,":[122],"resulting":[123,168],"disruption.":[126],"contrast,":[128],"has":[139],"novel":[141],"modification,":[142],"this":[143],"being":[144],"covalently":[146],"attached":[147],"phosphoethanolamine":[148],"group.":[149],"This":[150,176],"group":[151],"enables":[152],"formation":[154],"large":[157],"number":[158],"hydrogen":[160],"bonds":[161],"amine":[164],"groups,":[167],"an":[170],"electrostatic":[171,179],"net":[172],"on":[173],"extensive":[177],"noncovalent":[178],"cross-linking":[180],"molecules":[184],"collectively":[185],"enhances":[186],"stability":[189],"action":[196],"cationic":[198],"peptides":[199],"such":[200],"as":[201],"B.":[203],"shed":[207],"new":[208,226],"atomistic":[209],"insights":[210],"for":[211,222],"understanding":[212],"mechanistic":[214],"basis":[215],"provide":[220],"clues":[221],"design":[224],"disruptors":[228],"permeabilizers":[230]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":7},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":3}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}