{"id":"https://openalex.org/W2790430815","doi":"https://doi.org/10.1504/ijcbdd.2018.10011904","title":"Inhibition of polyamine biosynthesis for toxicity control in Serratia marcescens strain WW4 by targeting ornithine decarboxylase: a structure-based virtual screening study","display_name":"Inhibition of polyamine biosynthesis for toxicity control in Serratia marcescens strain WW4 by targeting ornithine decarboxylase: a structure-based virtual screening study","publication_year":2018,"publication_date":"2018-01-01","ids":{"openalex":"https://openalex.org/W2790430815","doi":"https://doi.org/10.1504/ijcbdd.2018.10011904","mag":"2790430815"},"language":"en","primary_location":{"id":"doi:10.1504/ijcbdd.2018.10011904","is_oa":false,"landing_page_url":"https://doi.org/10.1504/ijcbdd.2018.10011904","pdf_url":null,"source":{"id":"https://openalex.org/S200215862","display_name":"International Journal of Computational Biology and Drug Design","issn_l":"1756-0756","issn":["1756-0756","1756-0764"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310317825","host_organization_name":"Inderscience Publishers","host_organization_lineage":["https://openalex.org/P4310317825"],"host_organization_lineage_names":["Inderscience Publishers"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Computational Biology and Drug Design","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"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/A5011971205","display_name":"Rohit Farmer","orcid":"https://orcid.org/0000-0003-4197-3047"},"institutions":[{"id":"https://openalex.org/I223959643","display_name":"Sam Higginbottom Institute of Agriculture","ror":"https://ror.org/05ncvf986","country_code":"IN","type":"government","lineage":["https://openalex.org/I223959643"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Rohit Farmer","raw_affiliation_strings":["Department of Computational Biology and Bioinformatics, Sam Higginbottom University of Agriculture, Technology and Sciences, Allahabad, Uttar Pradesh, 211007, India"],"affiliations":[{"raw_affiliation_string":"Department of Computational Biology and Bioinformatics, Sam Higginbottom University of Agriculture, Technology and Sciences, Allahabad, Uttar Pradesh, 211007, India","institution_ids":["https://openalex.org/I223959643"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053523614","display_name":"Pramod W. Ramteke","orcid":"https://orcid.org/0000-0002-6593-7895"},"institutions":[{"id":"https://openalex.org/I223959643","display_name":"Sam Higginbottom Institute of Agriculture","ror":"https://ror.org/05ncvf986","country_code":"IN","type":"government","lineage":["https://openalex.org/I223959643"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Pramod W. Ramteke","raw_affiliation_strings":["Department of Computational Biology and Bioinformatics, Sam Higginbottom University of Agriculture, Technology and Sciences, Allahabad, Uttar Pradesh, 211007, India"],"affiliations":[{"raw_affiliation_string":"Department of Computational Biology and Bioinformatics, Sam Higginbottom University of Agriculture, Technology and Sciences, Allahabad, Uttar Pradesh, 211007, India","institution_ids":["https://openalex.org/I223959643"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024559269","display_name":"Kalyani Dhusia","orcid":"https://orcid.org/0000-0002-8803-1295"},"institutions":[{"id":"https://openalex.org/I223959643","display_name":"Sam Higginbottom Institute of Agriculture","ror":"https://ror.org/05ncvf986","country_code":"IN","type":"government","lineage":["https://openalex.org/I223959643"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Kalyani Dhusia","raw_affiliation_strings":["Department of Computational Biology and Bioinformatics, Sam Higginbottom University of Agriculture, Technology and Sciences, Allahabad, Uttar Pradesh, 211007, India"],"affiliations":[{"raw_affiliation_string":"Department of Computational Biology and Bioinformatics, Sam Higginbottom University of Agriculture, Technology and Sciences, Allahabad, Uttar Pradesh, 211007, India","institution_ids":["https://openalex.org/I223959643"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5040682203","display_name":"Pramod Kumar Yadav","orcid":"https://orcid.org/0000-0003-0026-1684"},"institutions":[{"id":"https://openalex.org/I223959643","display_name":"Sam Higginbottom Institute of Agriculture","ror":"https://ror.org/05ncvf986","country_code":"IN","type":"government","lineage":["https://openalex.org/I223959643"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Pramod K. Yadav","raw_affiliation_strings":["Department of Biological Sciences, Sam Higginbottom University of Agriculture, Technology and Sciences, Allahabad, Uttar Pradesh, 211007, India"],"affiliations":[{"raw_affiliation_string":"Department of Biological Sciences, Sam Higginbottom University of Agriculture, Technology and Sciences, Allahabad, Uttar Pradesh, 211007, India","institution_ids":["https://openalex.org/I223959643"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5011971205"],"corresponding_institution_ids":["https://openalex.org/I223959643"],"apc_list":null,"apc_paid":null,"fwci":0.1838,"has_fulltext":false,"cited_by_count":2,"citation_normalized_percentile":{"value":0.51151495,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":94,"max":96},"biblio":{"volume":"11","issue":"1/2","first_page":"114","last_page":"114"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11924","display_name":"Polyamine Metabolism and Applications","score":0.9991999864578247,"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/T11924","display_name":"Polyamine Metabolism and Applications","score":0.9991999864578247,"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/T13142","display_name":"GABA and Rice Research","score":0.9886000156402588,"subfield":{"id":"https://openalex.org/subfields/1110","display_name":"Plant Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12770","display_name":"Amino Acid Enzymes and Metabolism","score":0.9805999994277954,"subfield":{"id":"https://openalex.org/subfields/1303","display_name":"Biochemistry"},"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/serratia-marcescens","display_name":"Serratia marcescens","score":0.9345359802246094},{"id":"https://openalex.org/keywords/ornithine-decarboxylase","display_name":"Ornithine decarboxylase","score":0.7081191539764404},{"id":"https://openalex.org/keywords/polyamine","display_name":"Polyamine","score":0.61891108751297},{"id":"https://openalex.org/keywords/biosynthesis","display_name":"Biosynthesis","score":0.5980873107910156},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5323427319526672},{"id":"https://openalex.org/keywords/strain","display_name":"Strain (injury)","score":0.48718971014022827},{"id":"https://openalex.org/keywords/toxicity","display_name":"Toxicity","score":0.45747140049934387},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.40761202573776245},{"id":"https://openalex.org/keywords/microbiology","display_name":"Microbiology","score":0.37453755736351013},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.2806098461151123},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.2422623634338379},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.18677186965942383},{"id":"https://openalex.org/keywords/escherichia-coli","display_name":"Escherichia coli","score":0.13816827535629272},{"id":"https://openalex.org/keywords/internal-medicine","display_name":"Internal medicine","score":0.09153527021408081}],"concepts":[{"id":"https://openalex.org/C2776309202","wikidata":"https://www.wikidata.org/wiki/Q140004","display_name":"Serratia marcescens","level":4,"score":0.9345359802246094},{"id":"https://openalex.org/C121289238","wikidata":"https://www.wikidata.org/wiki/Q931579","display_name":"Ornithine decarboxylase","level":3,"score":0.7081191539764404},{"id":"https://openalex.org/C2780115381","wikidata":"https://www.wikidata.org/wiki/Q421959","display_name":"Polyamine","level":2,"score":0.61891108751297},{"id":"https://openalex.org/C553450214","wikidata":"https://www.wikidata.org/wiki/Q851162","display_name":"Biosynthesis","level":3,"score":0.5980873107910156},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5323427319526672},{"id":"https://openalex.org/C2778022156","wikidata":"https://www.wikidata.org/wiki/Q576145","display_name":"Strain (injury)","level":2,"score":0.48718971014022827},{"id":"https://openalex.org/C29730261","wikidata":"https://www.wikidata.org/wiki/Q274160","display_name":"Toxicity","level":2,"score":0.45747140049934387},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.40761202573776245},{"id":"https://openalex.org/C89423630","wikidata":"https://www.wikidata.org/wiki/Q7193","display_name":"Microbiology","level":1,"score":0.37453755736351013},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.2806098461151123},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2422623634338379},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.18677186965942383},{"id":"https://openalex.org/C547475151","wikidata":"https://www.wikidata.org/wiki/Q25419","display_name":"Escherichia coli","level":3,"score":0.13816827535629272},{"id":"https://openalex.org/C126322002","wikidata":"https://www.wikidata.org/wiki/Q11180","display_name":"Internal medicine","level":1,"score":0.09153527021408081},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1504/ijcbdd.2018.10011904","is_oa":false,"landing_page_url":"https://doi.org/10.1504/ijcbdd.2018.10011904","pdf_url":null,"source":{"id":"https://openalex.org/S200215862","display_name":"International Journal of Computational Biology and Drug Design","issn_l":"1756-0756","issn":["1756-0756","1756-0764"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310317825","host_organization_name":"Inderscience Publishers","host_organization_lineage":["https://openalex.org/P4310317825"],"host_organization_lineage_names":["Inderscience Publishers"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"International Journal of Computational Biology and Drug Design","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2416767685","https://openalex.org/W1577431525","https://openalex.org/W2042070210","https://openalex.org/W2050610763","https://openalex.org/W1973721821","https://openalex.org/W1970319252","https://openalex.org/W2394384269","https://openalex.org/W2028902939","https://openalex.org/W2809770869","https://openalex.org/W2110370547"],"abstract_inverted_index":{"Ornithine":[0],"decarboxylase":[1],"(ODC)":[2],"enzyme,":[3],"catalyses":[4],"the":[5,18,24,46,73],"decarboxylation":[6],"of":[7,20,28,40,59,75,95],"ornithine":[8],"to":[9,119],"form":[10],"spermidine":[11],"which":[12,102],"is":[13,88,99],"a":[14,129],"committed":[15],"step":[16],"in":[17,23,115,135],"biosynthesis":[19],"polyamines.":[21],"Here,":[22],"present":[25],"work,":[26],"structure":[27,42],"ODC":[29],"was":[30,43],"modelled":[31,41],"and":[32],"studied":[33],"for":[34,72,132],"its":[35,104],"active":[36],"site.":[37],"The":[38,80],"stability":[39],"revalidated":[44],"by":[45],"molecular":[47],"dynamics":[48],"simulation":[49],"at":[50,122],"50":[51],"nano":[52],"second":[53],"time":[54],"scale.":[55],"142":[56],"Natural":[57],"products":[58],"Indofine":[60],"Herbal":[61],"Ingredient":[62],"library":[63],"from":[64,83],"ZINC":[65],"database":[66],"were":[67],"screened":[68],"using":[69],"Autodock":[70],"Vina":[71],"identification":[74],"potential":[76,130],"leading":[77],"herbal":[78],"inhibitors.":[79],"results":[81],"obtained":[82],"docking":[84,93],"showed":[85],"that":[86],"Conessine":[87,98],"best":[89],"inhibiting":[90],"candidate":[91],"with":[92],"affinity":[94],"\u20139.7":[96],"Kcal/mol.":[97],"an":[100],"alkaloid":[101],"proves":[103],"immense":[105],"importance":[106],"as":[107],"metabolites.":[108],"Thus,":[109],"polyamine":[110],"being":[111],"harmful":[112],"when":[113],"synthesised":[114],"excess":[116],"are":[117],"necessary":[118],"be":[120,128],"controlled":[121],"their":[123],"genesis.":[124],"Therefore,":[125],"conessine":[126],"might":[127],"inhibitor":[131],"toxicity":[133],"control":[134],"plant":[136],"growth":[137],"promoting":[138],"rhizobacteria.":[139]},"counts_by_year":[{"year":2018,"cited_by_count":2}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
