{"id":"https://openalex.org/W30481017","doi":"https://doi.org/10.1021/acs.jcim.8b00525","title":"\u5e7c\u30fb\u5c0f\u306e\u9023\u643a\u554f\u984c\u306b\u3064\u3044\u3066 (\u7279\u96c6 \u5e7c\u7a1a\u5712\u6559\u80b2\u8981\u9818\u3068\u4fdd\u80b2\u6240\u4fdd\u80b2\u6307\u91dd\u306e\u6539\u5b9a\u306e\u8ad6\u70b9\u3092\u3055\u3050\u308b)","display_name":"\u5e7c\u30fb\u5c0f\u306e\u9023\u643a\u554f\u984c\u306b\u3064\u3044\u3066 (\u7279\u96c6 \u5e7c\u7a1a\u5712\u6559\u80b2\u8981\u9818\u3068\u4fdd\u80b2\u6240\u4fdd\u80b2\u6307\u91dd\u306e\u6539\u5b9a\u306e\u8ad6\u70b9\u3092\u3055\u3050\u308b)","publication_year":2007,"publication_date":"2007-12-01","ids":{"openalex":"https://openalex.org/W30481017","doi":"https://doi.org/10.1021/acs.jcim.8b00525","mag":"30481017"},"language":"en","primary_location":{"id":"mag:30481017","is_oa":false,"landing_page_url":"http://ci.nii.ac.jp/naid/40015769035","pdf_url":null,"source":{"id":"https://openalex.org/S4306547095","display_name":"\u5b63\u520a\u4fdd\u80b2\u554f\u984c\u7814\u7a76","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"\u5b63\u520a\u4fdd\u80b2\u554f\u984c\u7814\u7a76","raw_type":null},"type":"article","indexed_in":[],"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/A5044882366","display_name":"\u7f8e\u548c\u5b50 \u4e38\u5c71","orcid":null},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"\u7f8e\u548c\u5b50 \u4e38\u5c71","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":["https://openalex.org/A5044882366"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.00457938,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"59","issue":"228","first_page":"34","last_page":"42"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10038","display_name":"Tuberculosis Research and Epidemiology","score":0.517799973487854,"subfield":{"id":"https://openalex.org/subfields/2725","display_name":"Infectious Diseases"},"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/T10038","display_name":"Tuberculosis Research and Epidemiology","score":0.517799973487854,"subfield":{"id":"https://openalex.org/subfields/2725","display_name":"Infectious Diseases"},"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/T10038","display_name":"Tuberculosis Research and Epidemiology","score":0.517799973487854,"subfield":{"id":"https://openalex.org/subfields/2725","display_name":"Infectious Diseases"},"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/T11162","display_name":"Enzyme Structure and Function","score":0.1793999969959259,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.30080777406692505}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.30080777406692505}],"mesh":[],"locations_count":1,"locations":[{"id":"mag:30481017","is_oa":false,"landing_page_url":"http://ci.nii.ac.jp/naid/40015769035","pdf_url":null,"source":{"id":"https://openalex.org/S4306547095","display_name":"\u5b63\u520a\u4fdd\u80b2\u554f\u984c\u7814\u7a76","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"\u5b63\u520a\u4fdd\u80b2\u554f\u984c\u7814\u7a76","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G4721874491","display_name":null,"funder_award_id":"1-8/HEC/HRD/2017/8392","funder_id":"https://openalex.org/F4320322799","funder_display_name":"Higher Education Commission, Pakistan"},{"id":"https://openalex.org/G7530328018","display_name":null,"funder_award_id":"20120073110057","funder_id":"https://openalex.org/F4320321106","funder_display_name":"Ministry of Education of the People's Republic of China"},{"id":"https://openalex.org/G8970540129","display_name":null,"funder_award_id":"2016YFA0501703","funder_id":"https://openalex.org/F4320321540","funder_display_name":"Ministry of Science and Technology of the People's Republic of China"}],"funders":[{"id":"https://openalex.org/F4320321106","display_name":"Ministry of Education of the People's Republic of China","ror":"https://ror.org/01mv9t934"},{"id":"https://openalex.org/F4320321540","display_name":"Ministry of Science and Technology of the People's Republic of China","ror":"https://ror.org/027s68j25"},{"id":"https://openalex.org/F4320322799","display_name":"Higher Education Commission, Pakistan","ror":"https://ror.org/038y3sz68"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":[],"abstract_inverted_index":{"In":[0,117,238],"an":[1,19],"effort":[2],"to":[3,40,97,182,187,204,260],"discover":[4],"the":[5,15,48,54,69,92,98,101,106,114,118,121,158,161,166,173,177,190,206,209,213,218,221,231,235,285],"mechanism":[6,123],"of":[7,56,71,124,160,169,192,208,220],"resistance":[8,80],"offered":[9],"by":[10,36,47,83],"Mycobacterium":[11],"tuberculosis":[12],"(Mtb)":[13],"toward":[14,234],"pyrazinamide":[16],"(PZA)":[17],"drug,":[18],"extensive":[20],"molecular":[21,131],"dynamics":[22,132],"strategy":[23],"was":[24,128,180],"employed.":[25],"PZA":[26,58,79,170,198,236,251,261],"is":[27,51,64,81],"a":[28],"first-line":[29],"prodrug":[30,57],"that":[31,155,227,258,268],"effectively":[32],"cuts":[33],"therapy":[34],"time":[35],"33%":[37],"(from":[38],"9":[39],"6":[41],"months).":[42],"Pyrazinamidase":[43],"enzyme":[44],"(PZase),":[45],"encoded":[46],"pncA":[49,93,115],"gene,":[50],"responsible":[52],"for":[53],"activation":[55],"into":[59],"pyrazinoic":[60],"acid":[61],"(POA).":[62],"POA":[63],"toxic":[65],"and":[66,88,111,134,140,164,197,243,252,280],"potently":[67],"inhibits":[68],"growth":[70],"latent":[72],"Mtb":[73],"even":[74],"at":[75],"low":[76,184],"pH":[77],"values.":[78],"caused":[82],"three":[84,126],"genes":[85],"pncA,":[86],"rpsA,":[87],"panD.":[89],"Among":[90,212],"them,":[91],"gene":[94],"contributes":[95],"72-99%":[96],"resistance.":[99,262],"Hence,":[100],"present":[102,119],"study":[103,264],"focused":[104],"on":[105],"novel":[107],"mutations":[108,127,156,201,229,240,269],"N11K,":[109,241],"P69T,":[110,242],"D126N":[112,215,244],"in":[113,143,172,246,270],"gene.":[116],"study,":[120],"possible":[122],"these":[125,228],"studied":[129],"through":[130],"simulation":[133],"docking":[135],"techniques.":[136],"Our":[137],"in-depth":[138],"analysis":[139,153],"results":[141],"are":[142],"strong":[144],"agreement":[145],"with":[146,250],"our":[147],"experimental":[148],"observation.":[149],"The":[150],"binding":[151,232,248],"pocket":[152],"showed":[154,226],"decrease":[157,230],"volume":[159],"active":[162,174,273],"site":[163],"hinder":[165],"correct":[167],"orientation":[168],"drug":[171],"site.":[175],"Moreover,":[176],"Patchdock":[178],"score":[179],"found":[181,203],"be":[183],"as":[185],"compared":[186],"WT":[188],"showing":[189],"disturbance":[191],"shape":[193],"complementarity":[194],"between":[195],"PZase":[196],"drug.":[199,237],"These":[200],"were":[202],"disturb":[205],"position":[207,219],"Fe<sup>2+</sup>":[210,222],"ion.":[211,223],"mutations,":[214],"allosterically":[216],"disturbed":[217],"MMGBSA":[224],"analyses":[225],"affinity":[233,249],"conclusion,":[239],"result":[245],"weak":[247],"also":[253,276],"cause":[254,277],"significant":[255],"structural":[256],"deformations":[257],"lead":[259],"This":[263],"provides":[265],"useful":[266],"information":[267],"other":[271],"than":[272],"parts":[274],"may":[275],"protein":[278],"folding":[279],"ligand":[281],"displacement":[282],"effects,":[283],"altering":[284],"biological":[286],"functions.":[287]},"counts_by_year":[],"updated_date":"2025-07-23T07:21:08.649361","created_date":"2016-06-24T00:00:00"}