{"id":"https://openalex.org/W2298960334","doi":"https://doi.org/10.1016/j.jtusci.2016.02.006","title":"Comparative modelling and molecular docking of nitrate reductase from Bacillus weihenstephanensis (DS45)","display_name":"Comparative modelling and molecular docking of nitrate reductase from Bacillus weihenstephanensis (DS45)","publication_year":2016,"publication_date":"2016-03-15","ids":{"openalex":"https://openalex.org/W2298960334","doi":"https://doi.org/10.1016/j.jtusci.2016.02.006","mag":"2298960334"},"language":"en","primary_location":{"id":"doi:10.1016/j.jtusci.2016.02.006","doi":"https://doi.org/10.1016/j.jtusci.2016.02.006","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.jtusci.2016.02.006","pdf_url":"https://www.tandfonline.com/doi/pdf/10.1016/j.jtusci.2016.02.006?needAccess=true","source":{"id":"https://openalex.org/S2764979341","display_name":"Journal of Taibah University for Science","issn_l":"1658-3655","issn":["1658-3655"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","poland-40","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Taibah University for Science","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.tandfonline.com/doi/pdf/10.1016/j.jtusci.2016.02.006?needAccess=true","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5085049016","display_name":"Renganathan Seenivasagan","orcid":"https://orcid.org/0000-0003-1147-989X","observed_orcids":["https://orcid.org/0000-0003-1147-989X"]},"institutions":[{"id":"https://openalex.org/I141431873","display_name":"Periyar University","ror":"https://ror.org/05crs8s98","country_code":"IN","type":"education","lineage":["https://openalex.org/I141431873"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"R. Seenivasagan","raw_affiliation_strings":["Department of Microbiology, Periyar University, Salem 636 011, Tamil Nadu, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Microbiology, Periyar University, Salem 636 011, Tamil Nadu, India","institution_ids":["https://openalex.org/I141431873"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5018198268","display_name":"R. Kasimani","orcid":"https://orcid.org/0000-0003-1653-8027","observed_orcids":["https://orcid.org/0000-0003-1653-8027"]},"institutions":[{"id":"https://openalex.org/I98499257","display_name":"Kalasalingam Academy of Research and Education","ror":"https://ror.org/04fm2fn75","country_code":"IN","type":"education","lineage":["https://openalex.org/I98499257"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"R. Kasimani","raw_affiliation_strings":["Department of Biotechnology, Kalasalingam University, Srivilliputtur 626 126, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biotechnology, Kalasalingam University, Srivilliputtur 626 126, India","institution_ids":["https://openalex.org/I98499257"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101648214","display_name":"Selvaraj Rajakumar","orcid":"https://orcid.org/0000-0002-0459-1384","observed_orcids":["https://orcid.org/0000-0002-0459-1384"]},"institutions":[{"id":"https://openalex.org/I4076070","display_name":"Bharathidasan University","ror":"https://ror.org/02w7vnb60","country_code":"IN","type":"education","lineage":["https://openalex.org/I4076070"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"S. Rajakumar","raw_affiliation_strings":["Department of Marine Biotechnology, Bharathidasan University, Tiruchirappalli 620 024, Tamil Nadu, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Marine Biotechnology, Bharathidasan University, Tiruchirappalli 620 024, Tamil Nadu, India","institution_ids":["https://openalex.org/I4076070"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5039527580","display_name":"Kalidoss Ramamoorthy","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210110463","display_name":"Leibniz Institute of Plant Biochemistry","ror":"https://ror.org/01mzk5576","country_code":"DE","type":"facility","lineage":["https://openalex.org/I315704651","https://openalex.org/I4210110463"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"R. Kalidoss","raw_affiliation_strings":["Department of Molecular Signal Processing, Leibniz Institute of Plant Biochemistry (IPB), Halle 06120, Saxony-Anhalt, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Molecular Signal Processing, Leibniz Institute of Plant Biochemistry (IPB), Halle 06120, Saxony-Anhalt, Germany","institution_ids":["https://openalex.org/I4210110463"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5110957417","display_name":"Pudukadu Munusamy Ayyasamy","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I141431873","display_name":"Periyar University","ror":"https://ror.org/05crs8s98","country_code":"IN","type":"education","lineage":["https://openalex.org/I141431873"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"P.M. Ayyasamy","raw_affiliation_strings":["Department of Microbiology, Periyar University, Salem 636 011, Tamil Nadu, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Microbiology, Periyar University, Salem 636 011, Tamil Nadu, India","institution_ids":["https://openalex.org/I141431873"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5110957417"],"corresponding_institution_ids":["https://openalex.org/I141431873"],"apc_list":{"value":770,"currency":"GBP","value_usd":944},"apc_paid":{"value":770,"currency":"GBP","value_usd":944},"fwci":0.1734,"has_fulltext":false,"cited_by_count":6,"citation_normalized_percentile":{"value":0.60453119,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":95},"biblio":{"volume":"10","issue":"4","first_page":"621","last_page":"630"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.7997999787330627,"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"}},"topics":[{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.7997999787330627,"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/T11162","display_name":"Enzyme Structure and Function","score":0.19059999287128448,"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"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.0034000000450760126,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/nitrate-reductase","display_name":"nitrate reductase","score":1.0},{"id":"https://openalex.org/keywords/bacillus-weihenstephanensis","display_name":"Bacillus weihenstephanensis","score":0.9850000143051147},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.7260000109672546},{"id":"https://openalex.org/keywords/nitrate-reduction","display_name":"nitrate reduction","score":0.7390000224113464},{"id":"https://openalex.org/keywords/nad-p-h","display_name":"NAD(P)H","score":0.8569999933242798},{"id":"https://openalex.org/keywords/model-validation","display_name":"model validation","score":0.578000009059906}],"concepts":[{"id":"https://openalex.org/C2778710519","wikidata":"https://www.wikidata.org/wiki/Q420896","display_name":"Nitrate reductase","level":3,"score":0.9077458381652832},{"id":"https://openalex.org/C2776384668","wikidata":"https://www.wikidata.org/wiki/Q182168","display_name":"Nitrate","level":2,"score":0.6374392509460449},{"id":"https://openalex.org/C75520062","wikidata":"https://www.wikidata.org/wiki/Q15321392","display_name":"NAD+ kinase","level":3,"score":0.6003187894821167},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5717911124229431},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.5529562830924988},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.5264794826507568},{"id":"https://openalex.org/C3119751","wikidata":"https://www.wikidata.org/wiki/Q3935532","display_name":"Nitrogen assimilation","level":3,"score":0.4929075241088867},{"id":"https://openalex.org/C2781341435","wikidata":"https://www.wikidata.org/wiki/Q409788","display_name":"Nitrite reductase","level":4,"score":0.4746288061141968},{"id":"https://openalex.org/C134651460","wikidata":"https://www.wikidata.org/wiki/Q3100717","display_name":"Reductase","level":3,"score":0.4722684621810913},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.43401357531547546},{"id":"https://openalex.org/C2776179834","wikidata":"https://www.wikidata.org/wiki/Q72158415","display_name":"Nitrite","level":3,"score":0.4154302775859833},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.13280490040779114},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1016/j.jtusci.2016.02.006","doi":"https://doi.org/10.1016/j.jtusci.2016.02.006","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.jtusci.2016.02.006","pdf_url":"https://www.tandfonline.com/doi/pdf/10.1016/j.jtusci.2016.02.006?needAccess=true","source":{"id":"https://openalex.org/S2764979341","display_name":"Journal of Taibah University for Science","issn_l":"1658-3655","issn":["1658-3655"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","poland-40","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Taibah University for Science","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:271cf32078804bfdbbec771ce4b6f025","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/271cf32078804bfdbbec771ce4b6f025","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":"Journal of Taibah University for Science, Vol 10, Iss 4, Pp 621-630 (2016)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1016/j.jtusci.2016.02.006","doi":"https://doi.org/10.1016/j.jtusci.2016.02.006","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.jtusci.2016.02.006","pdf_url":"https://www.tandfonline.com/doi/pdf/10.1016/j.jtusci.2016.02.006?needAccess=true","source":{"id":"https://openalex.org/S2764979341","display_name":"Journal of Taibah University for Science","issn_l":"1658-3655","issn":["1658-3655"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","poland-40","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Taibah University for Science","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2298960334.pdf"},"referenced_works_count":43,"referenced_works":["https://openalex.org/W53898165","https://openalex.org/W157079865","https://openalex.org/W226375095","https://openalex.org/W1582255757","https://openalex.org/W1970665100","https://openalex.org/W1971523948","https://openalex.org/W1972436355","https://openalex.org/W1978481514","https://openalex.org/W1981433061","https://openalex.org/W1986191025","https://openalex.org/W1993509859","https://openalex.org/W1995823297","https://openalex.org/W1998970211","https://openalex.org/W2001345841","https://openalex.org/W2003733189","https://openalex.org/W2014445000","https://openalex.org/W2015642465","https://openalex.org/W2020481171","https://openalex.org/W2033599069","https://openalex.org/W2036941187","https://openalex.org/W2047544230","https://openalex.org/W2059980983","https://openalex.org/W2060259273","https://openalex.org/W2061628597","https://openalex.org/W2065283382","https://openalex.org/W2071486470","https://openalex.org/W2101766593","https://openalex.org/W2104547142","https://openalex.org/W2117545594","https://openalex.org/W2120817955","https://openalex.org/W2145268834","https://openalex.org/W2148853951","https://openalex.org/W2150426398","https://openalex.org/W2151831732","https://openalex.org/W2152510069","https://openalex.org/W2152811165","https://openalex.org/W2158534713","https://openalex.org/W2158714788","https://openalex.org/W2160310346","https://openalex.org/W2188572499","https://openalex.org/W2226341898","https://openalex.org/W2423220580","https://openalex.org/W2547995813"],"related_works":["https://openalex.org/W2097653436","https://openalex.org/W3018891832","https://openalex.org/W6941124248","https://openalex.org/W2166125203","https://openalex.org/W2554413794","https://openalex.org/W1992819850","https://openalex.org/W2414528008","https://openalex.org/W2058930873","https://openalex.org/W7115073470","https://openalex.org/W2350933112"],"abstract_inverted_index":{"Nitrate":[0],"reductase":[1,60,85,144],"catalyses":[2],"the":[3,8,21,28,68,73,92,96,119,138,142],"oxidation":[4],"of":[5,10,23,30,70,95,118,141],"NAD(P)H":[6],"and":[7,40,110,129,146],"reduction":[9],"nitrate":[11,44,48,59,84,143,150],"to":[12,49,64,90],"nitrite.":[13],"NR":[14],"serves":[15],"as":[16,152,154],"a":[17,83],"central":[18],"point":[19],"for":[20,115,155],"integration":[22],"metabolic":[24],"pathways":[25],"by":[26],"governing":[27],"flux":[29],"reduced":[31],"nitrogen":[32],"through":[33],"several":[34],"regulatory":[35],"mechanisms":[36],"in":[37,137],"plants,":[38],"algae":[39],"fungi.":[41],"Bacteria":[42],"express":[43],"reductases":[45],"that":[46,79],"convert":[47],"nitrite,":[50],"but":[51],"mammals":[52],"lack":[53],"these":[54],"specific":[55],"enzymes.":[56],"The":[57,121],"microbial":[58],"reduces":[61],"toxic":[62],"compounds":[63,66],"nontoxic":[65],"with":[67,125,149,157],"help":[69],"NAD(P)H.":[71],"In":[72],"present":[74],"study,":[75],"our":[76],"results":[77],"revealed":[78],"Bacillus":[80],"weihenstephanensis":[81],"expresses":[82],"enzyme,":[86],"which":[87],"was":[88,123],"made":[89],"generate":[91],"3D":[93],"structure":[94],"enzyme.":[97],"Six":[98],"different":[99],"modelling":[100,117],"servers,":[101],"namely":[102],"Phyre2,":[103],"RaptorX,":[104],"M4T":[105],"Server,":[106],"HHpred,":[107],"SWISS":[108],"MODEL":[109],"Mod":[111],"Web,":[112],"were":[113],"used":[114],"comparative":[116],"structure.":[120],"model":[122],"validated":[124],"standard":[126],"parameters":[127],"(PROCHECK":[128],"Verify":[130],"3D).":[131],"This":[132],"study":[133],"will":[134],"be":[135],"useful":[136],"functional":[139],"characterization":[140],"enzyme":[145],"its":[147],"docking":[148],"molecules,":[151],"well":[153],"use":[156],"autodocking.":[158]},"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":1}],"updated_date":"2026-10-12T09:40:04.860316","created_date":"2016-06-24T00:00:00"}
