{"id":"https://openalex.org/W3091310884","doi":"https://doi.org/10.3389/fphar.2020.581001","title":"Discovery of a Novel Natural Allosteric Inhibitor That Targets NDM-1 Against Escherichia coli","display_name":"Discovery of a Novel Natural Allosteric Inhibitor That Targets NDM-1 Against Escherichia coli","publication_year":2020,"publication_date":"2020-10-02","ids":{"openalex":"https://openalex.org/W3091310884","doi":"https://doi.org/10.3389/fphar.2020.581001","mag":"3091310884","pmid":"https://pubmed.ncbi.nlm.nih.gov/33123013","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/7566295"},"language":"en","primary_location":{"id":"doi:10.3389/fphar.2020.581001","doi":"https://doi.org/10.3389/fphar.2020.581001","is_oa":true,"landing_page_url":"https://doi.org/10.3389/fphar.2020.581001","pdf_url":"https://www.frontiersin.org/articles/10.3389/fphar.2020.581001/pdf","source":{"id":"https://openalex.org/S132108250","display_name":"Frontiers in Pharmacology","issn_l":"1663-9812","issn":["1663-9812"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","ki-jl-1","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320527","host_organization_name":"Frontiers Media","host_organization_lineage":["https://openalex.org/P4310320527"],"host_organization_lineage_names":["Frontiers Media"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Frontiers in Pharmacology","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.frontiersin.org/articles/10.3389/fphar.2020.581001/pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5101739486","display_name":"Yanan Yang","orcid":"https://orcid.org/0000-0001-5803-8499","observed_orcids":["https://orcid.org/0000-0001-5803-8499"]},"institutions":[{"id":"https://openalex.org/I194450716","display_name":"Jilin University","ror":"https://ror.org/00js3aw79","country_code":"CN","type":"education","lineage":["https://openalex.org/I194450716"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yanan Yang","raw_affiliation_strings":["College of Food Science and Engineering, Jilin University, Changchun, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Food Science and Engineering, Jilin University, Changchun, China","institution_ids":["https://openalex.org/I194450716"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056796466","display_name":"Yan Ping Guo","orcid":"https://orcid.org/0000-0001-5252-3960","observed_orcids":["https://orcid.org/0000-0001-5252-3960"]},"institutions":[{"id":"https://openalex.org/I194450716","display_name":"Jilin University","ror":"https://ror.org/00js3aw79","country_code":"CN","type":"education","lineage":["https://openalex.org/I194450716"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yan Guo","raw_affiliation_strings":["Key Laboratory of Zoonosis Research, Ministry of Education, College of Veterinary Medicine, Institute of Zoonosis, Jilin University, Changchun, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory of Zoonosis Research, Ministry of Education, College of Veterinary Medicine, Institute of Zoonosis, Jilin University, Changchun, China","institution_ids":["https://openalex.org/I194450716"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067368392","display_name":"Yonglin Zhou","orcid":"https://orcid.org/0000-0001-7704-187X","observed_orcids":["https://orcid.org/0000-0001-7704-187X"]},"institutions":[{"id":"https://openalex.org/I194450716","display_name":"Jilin University","ror":"https://ror.org/00js3aw79","country_code":"CN","type":"education","lineage":["https://openalex.org/I194450716"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yonglin Zhou","raw_affiliation_strings":["Key Laboratory of Zoonosis Research, Ministry of Education, College of Veterinary Medicine, Institute of Zoonosis, Jilin University, Changchun, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory of Zoonosis Research, Ministry of Education, College of Veterinary Medicine, Institute of Zoonosis, Jilin University, Changchun, China","institution_ids":["https://openalex.org/I194450716"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5113840898","display_name":"Yawen Gao","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I194450716","display_name":"Jilin University","ror":"https://ror.org/00js3aw79","country_code":"CN","type":"education","lineage":["https://openalex.org/I194450716"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yawen Gao","raw_affiliation_strings":["College of Food Science and Engineering, Jilin University, Changchun, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Food Science and Engineering, Jilin University, Changchun, China","institution_ids":["https://openalex.org/I194450716"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056738571","display_name":"Xiyan Wang","orcid":"https://orcid.org/0000-0002-4722-5579","observed_orcids":["https://orcid.org/0000-0002-4722-5579"]},"institutions":[{"id":"https://openalex.org/I194450716","display_name":"Jilin University","ror":"https://ror.org/00js3aw79","country_code":"CN","type":"education","lineage":["https://openalex.org/I194450716"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiyan Wang","raw_affiliation_strings":["College of Food Science and Engineering, Jilin University, Changchun, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Food Science and Engineering, Jilin University, Changchun, China","institution_ids":["https://openalex.org/I194450716"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100358501","display_name":"Jianfeng Wang","orcid":"https://orcid.org/0000-0001-8311-0894","observed_orcids":["https://orcid.org/0000-0001-8311-0894"]},"institutions":[{"id":"https://openalex.org/I194450716","display_name":"Jilin University","ror":"https://ror.org/00js3aw79","country_code":"CN","type":"education","lineage":["https://openalex.org/I194450716"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Jianfeng Wang","raw_affiliation_strings":["Key Laboratory of Zoonosis Research, Ministry of Education, College of Veterinary Medicine, Institute of Zoonosis, Jilin University, Changchun, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory of Zoonosis Research, Ministry of Education, College of Veterinary Medicine, Institute of Zoonosis, Jilin University, Changchun, China","institution_ids":["https://openalex.org/I194450716"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5101760085","display_name":"Xiaodi Niu","orcid":"https://orcid.org/0000-0001-8333-1128","observed_orcids":["https://orcid.org/0000-0001-8333-1128"]},"institutions":[{"id":"https://openalex.org/I194450716","display_name":"Jilin University","ror":"https://ror.org/00js3aw79","country_code":"CN","type":"education","lineage":["https://openalex.org/I194450716"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Xiaodi Niu","raw_affiliation_strings":["College of Food Science and Engineering, Jilin University, Changchun, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Food Science and Engineering, Jilin University, Changchun, China","institution_ids":["https://openalex.org/I194450716"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5100358501","https://openalex.org/A5101760085"],"corresponding_institution_ids":["https://openalex.org/I194450716"],"apc_list":{"value":2950,"currency":"USD","value_usd":2950},"apc_paid":{"value":2950,"currency":"USD","value_usd":2950},"fwci":1.8005,"has_fulltext":true,"cited_by_count":34,"citation_normalized_percentile":{"value":0.83870563,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":96,"max":99},"biblio":{"volume":"11","issue":null,"first_page":"581001","last_page":"581001"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10147","display_name":"Antibiotic Resistance in Bacteria","score":0.9707000255584717,"subfield":{"id":"https://openalex.org/subfields/2726","display_name":"Microbiology (medical)"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T10147","display_name":"Antibiotic Resistance in Bacteria","score":0.9707000255584717,"subfield":{"id":"https://openalex.org/subfields/2726","display_name":"Microbiology (medical)"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T12412","display_name":"Enzyme function and inhibition","score":0.0071000000461936,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.00279999990016222,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/ndm-1","display_name":"NDM-1","score":0.8629999756813049},{"id":"https://openalex.org/keywords/new-delhi-metallo-beta-lactamase-1","display_name":"New Delhi metallo-beta-lactamase-1","score":0.8840000033378601},{"id":"https://openalex.org/keywords/carnosic-acid","display_name":"carnosic acid","score":0.9909999966621399},{"id":"https://openalex.org/keywords/allosteric-inhibition","display_name":"allosteric inhibition","score":0.8830000162124634},{"id":"https://openalex.org/keywords/escherichia-coli","display_name":"Escherichia coli","score":0.8190000057220459},{"id":"https://openalex.org/keywords/carbapenem-resistance","display_name":"carbapenem resistance","score":0.9300000071525574},{"id":"https://openalex.org/keywords/beta-lactam-resistance","display_name":"beta-lactam resistance","score":0.8220000267028809},{"id":"https://openalex.org/keywords/meropenem","display_name":"meropenem","score":0.7490000128746033},{"id":"https://openalex.org/keywords/natural-product-inhibitors","display_name":"natural product inhibitors","score":0.5799999833106995},{"id":"https://openalex.org/keywords/allosteric-pocket","display_name":"allosteric pocket","score":0.7229999899864197},{"id":"https://openalex.org/keywords/protein-conformational-change","display_name":"protein conformational change","score":0.7580000162124634},{"id":"https://openalex.org/keywords/virtual-ligand-screening","display_name":"virtual ligand screening","score":0.6349999904632568},{"id":"https://openalex.org/keywords/molecular-dynamics-simulation","display_name":"molecular dynamics simulation","score":0.5789999961853027}],"concepts":[{"id":"https://openalex.org/C2776285023","wikidata":"https://www.wikidata.org/wiki/Q412827","display_name":"Carnosic acid","level":3,"score":0.985694408416748},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6623687744140625},{"id":"https://openalex.org/C166342909","wikidata":"https://www.wikidata.org/wiki/Q845326","display_name":"Allosteric regulation","level":3,"score":0.6459872722625732},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.589592456817627},{"id":"https://openalex.org/C547475151","wikidata":"https://www.wikidata.org/wiki/Q25419","display_name":"Escherichia coli","level":3,"score":0.5288330912590027},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.43136802315711975},{"id":"https://openalex.org/C58123911","wikidata":"https://www.wikidata.org/wiki/Q467410","display_name":"Biofilm","level":3,"score":0.4223787784576416},{"id":"https://openalex.org/C523546767","wikidata":"https://www.wikidata.org/wiki/Q10876","display_name":"Bacteria","level":2,"score":0.3455852270126343},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.20754361152648926},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.12821608781814575},{"id":"https://openalex.org/C2778004101","wikidata":"https://www.wikidata.org/wiki/Q133948","display_name":"Antioxidant","level":2,"score":0.11435237526893616},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.09239974617958069},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.3389/fphar.2020.581001","doi":"https://doi.org/10.3389/fphar.2020.581001","is_oa":true,"landing_page_url":"https://doi.org/10.3389/fphar.2020.581001","pdf_url":"https://www.frontiersin.org/articles/10.3389/fphar.2020.581001/pdf","source":{"id":"https://openalex.org/S132108250","display_name":"Frontiers in Pharmacology","issn_l":"1663-9812","issn":["1663-9812"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","ki-jl-1","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320527","host_organization_name":"Frontiers Media","host_organization_lineage":["https://openalex.org/P4310320527"],"host_organization_lineage_names":["Frontiers Media"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Frontiers in Pharmacology","raw_type":"journal-article"},{"id":"pmh:oai:pubmedcentral.nih.gov:7566295","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/7566295","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Front Pharmacol","raw_type":"Text"},{"id":"pmid:33123013","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/33123013","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,"listed_in":[],"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":"Frontiers in pharmacology","raw_type":"Journal Article"},{"id":"pmh:oai:doaj.org/article:277f534629fa4360bf959aae2d56c1c2","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/277f534629fa4360bf959aae2d56c1c2","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Frontiers in Pharmacology, Vol 11 (2020)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.3389/fphar.2020.581001","doi":"https://doi.org/10.3389/fphar.2020.581001","is_oa":true,"landing_page_url":"https://doi.org/10.3389/fphar.2020.581001","pdf_url":"https://www.frontiersin.org/articles/10.3389/fphar.2020.581001/pdf","source":{"id":"https://openalex.org/S132108250","display_name":"Frontiers in Pharmacology","issn_l":"1663-9812","issn":["1663-9812"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","ki-jl-1","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320527","host_organization_name":"Frontiers Media","host_organization_lineage":["https://openalex.org/P4310320527"],"host_organization_lineage_names":["Frontiers Media"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Frontiers in Pharmacology","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.8199999928474426}],"study_designs":[],"awards":[{"id":"https://openalex.org/G43384876","display_name":null,"funder_award_id":"31872525","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G8288606399","display_name":null,"funder_award_id":"81861138046","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320315254","display_name":"Innovative Research Group Project of the National Natural Science Foundation of China","ror":null},{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3091310884.pdf","grobid_xml":"https://content.openalex.org/works/W3091310884.grobid-xml"},"referenced_works_count":59,"referenced_works":["https://openalex.org/W33831771","https://openalex.org/W638751764","https://openalex.org/W1012083820","https://openalex.org/W1757990252","https://openalex.org/W1850979744","https://openalex.org/W1977031425","https://openalex.org/W1984668077","https://openalex.org/W1999896920","https://openalex.org/W2004167720","https://openalex.org/W2004682643","https://openalex.org/W2007745054","https://openalex.org/W2009947592","https://openalex.org/W2020025137","https://openalex.org/W2028682587","https://openalex.org/W2063467721","https://openalex.org/W2103266352","https://openalex.org/W2106637866","https://openalex.org/W2127429285","https://openalex.org/W2166540224","https://openalex.org/W2166669947","https://openalex.org/W2169152034","https://openalex.org/W2208804807","https://openalex.org/W2289834069","https://openalex.org/W2419326809","https://openalex.org/W2444191930","https://openalex.org/W2468787626","https://openalex.org/W2506397732","https://openalex.org/W2607580877","https://openalex.org/W2622861420","https://openalex.org/W2735070460","https://openalex.org/W2750165187","https://openalex.org/W2753031873","https://openalex.org/W2783385284","https://openalex.org/W2783978753","https://openalex.org/W2785436589","https://openalex.org/W2789670572","https://openalex.org/W2791989143","https://openalex.org/W2792800338","https://openalex.org/W2793619450","https://openalex.org/W2800591409","https://openalex.org/W2801863810","https://openalex.org/W2802586146","https://openalex.org/W2803930473","https://openalex.org/W2805882061","https://openalex.org/W2903246167","https://openalex.org/W2914676175","https://openalex.org/W2918082491","https://openalex.org/W2940969179","https://openalex.org/W2940999987","https://openalex.org/W2960479439","https://openalex.org/W2966451079","https://openalex.org/W2969872865","https://openalex.org/W2973025151","https://openalex.org/W3003419647","https://openalex.org/W3009977897","https://openalex.org/W3010674904","https://openalex.org/W3011539327","https://openalex.org/W3015891840","https://openalex.org/W6767827968"],"related_works":["https://openalex.org/W2942380475","https://openalex.org/W2800591409","https://openalex.org/W2953027420","https://openalex.org/W4220666261","https://openalex.org/W7123547716","https://openalex.org/W4229500466","https://openalex.org/W4405590730","https://openalex.org/W2793012639","https://openalex.org/W4389451391","https://openalex.org/W3011980291"],"abstract_inverted_index":{"At":[0],"present,":[1],"the":[2,15,34,72,84,100,111,121,130,135,139,147,159,168,174,189,193,201,210,230,252],"resistance":[3,19],"of":[4,14,17,74,86,89,103,114,138,150,162,171,178,192,200,207,254],"New":[5],"Delhi":[6],"metallo-\u03b2-lactamase-1":[7],"(NDM-1)":[8],"to":[9,26,165,167,182,205],"carbapenems":[10],"and":[11,77,125,246],"cephalosporins,":[12],"one":[13],"mechanisms":[16],"bacterial":[18],"against":[20,57,105,117,221],"\u03b2-lactam":[21],"antibiotics,":[22],"poses":[23],"a":[24,49,53,242,248],"threat":[25],"human":[27],"health.":[28],"In":[29],"this":[30],"work,":[31],"based":[32],"on":[33],"virtual":[35],"ligand":[36],"screen":[37],"method,":[38],"we":[39,119],"found":[40],"that":[41,95,146,199,214,238],"carnosic":[42,46,64,75,96,115,151,172,215,239],"acid[":[43],"CA":[44],"is":[45,241,247],"acid]":[47],"(CA),":[48],"natural":[50],"compound,":[51],"exhibited":[52],"significant":[54],"inhibitory":[55,112,219],"effect":[56,88],"NDM-1":[58,154,179,244,255],"(IC50":[59],"=":[60],"27.07":[61],"\u03bcM).":[62],"Although":[63],"acid":[65,76,97,116,152,216,240],"did":[66],"not":[67,156],"display":[68],"direct":[69],"antibacterial":[70,101],"activity,":[71],"combination":[73],"meropenem":[78,104],"still":[79],"showed":[80,94,213],"bactericidal":[81,87],"activity":[82,102,220],"after":[83],"loss":[85,206],"meropenem.":[90],"The":[91,186],"experimental":[92],"results":[93,231],"can":[98],"enhance":[99],"Escherichia":[106],"coli":[107],"ZC-YN3.":[108],"To":[109],"explore":[110],"mechanism":[113],"NDM-1,":[118],"performed":[120],"molecular":[122,143],"dynamics":[123],"simulation":[124],"binding":[126,148,166],"energy":[127],"calculation":[128],"for":[129,251],"NDM-1-CA":[131,194],"complex":[132,140,195],"system.":[133],"Notably,":[134],"3D":[136],"structure":[137],"obtained":[141],"from":[142,188],"modeling":[144],"indicates":[145],"region":[149,161,176],"with":[153],"was":[155,180,196],"situated":[157],"in":[158],"active":[160,175,190],"protein.":[163],"Due":[164],"allosteric":[169],"pocket":[170],"acid,":[173],"conformation":[177],"observed":[181],"have":[183],"been":[184],"altered.":[185],"distance":[187],"center":[191],"larger":[197],"than":[198,224],"free":[202],"protein,":[203],"leading":[204],"activity.":[208],"Then,":[209],"mutation":[211],"experiments":[212,228],"had":[217],"lower":[218],"mutated":[222],"protein":[223],"wild-type":[225],"proteins.":[226],"Fluorescence":[227],"verified":[229],"reported":[232],"above.":[233],"Thus,":[234],"our":[235],"data":[236],"indicate":[237],"potential":[243],"inhibitor":[245],"promising":[249],"drug":[250],"treatment":[253],"producing":[256],"pathogens.":[257]},"counts_by_year":[{"year":2026,"cited_by_count":7},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":8},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":7},{"year":2021,"cited_by_count":4}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2020-10-08T00:00:00"}
