{"id":"https://openalex.org/W2887586831","doi":"https://doi.org/10.1016/j.molstruc.2018.08.035","title":"Spectroscopic investigations and molecular docking analysis of ML115: A potential molecular probe of the signal transducer and activator of transcription","display_name":"Spectroscopic investigations and molecular docking analysis of ML115: A potential molecular probe of the signal transducer and activator of transcription","publication_year":2018,"publication_date":"2018-08-11","ids":{"openalex":"https://openalex.org/W2887586831","doi":"https://doi.org/10.1016/j.molstruc.2018.08.035","mag":"2887586831"},"language":"en","primary_location":{"id":"doi:10.1016/j.molstruc.2018.08.035","doi":"https://doi.org/10.1016/j.molstruc.2018.08.035","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.molstruc.2018.08.035","pdf_url":null,"source":{"id":"https://openalex.org/S203479135","display_name":"Journal of Molecular Structure","issn_l":"0022-2860","issn":["0022-2860","1872-8014"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-1","vabb-shw"],"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Structure","raw_type":"journal-article"},"volume":null,"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/A5062831461","display_name":"Chengjun Wu","orcid":"https://orcid.org/0000-0001-5785-8065","observed_orcids":["https://orcid.org/0000-0001-5785-8065"]},"institutions":[{"id":"https://openalex.org/I103890011","display_name":"Shenyang Pharmaceutical University","ror":"https://ror.org/03dnytd23","country_code":"CN","type":"education","lineage":["https://openalex.org/I103890011"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Chengjun Wu","raw_affiliation_strings":["Key Laboratory of Structure-Based Drug Design and Discovery, Shenyang Pharmaceutical University, Ministry of Education, Shenyang, 110016, PR China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory of Structure-Based Drug Design and Discovery, Shenyang Pharmaceutical University, Ministry of Education, Shenyang, 110016, PR China","institution_ids":["https://openalex.org/I103890011"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5044011366","display_name":"Weibin Xie","orcid":"https://orcid.org/0009-0008-1436-889X","observed_orcids":["https://orcid.org/0009-0008-1436-889X"]},"institutions":[{"id":"https://openalex.org/I103890011","display_name":"Shenyang Pharmaceutical University","ror":"https://ror.org/03dnytd23","country_code":"CN","type":"education","lineage":["https://openalex.org/I103890011"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Weibin Xie","raw_affiliation_strings":["Key Laboratory of Structure-Based Drug Design and Discovery, Shenyang Pharmaceutical University, Ministry of Education, Shenyang, 110016, PR China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory of Structure-Based Drug Design and Discovery, Shenyang Pharmaceutical University, Ministry of Education, Shenyang, 110016, PR China","institution_ids":["https://openalex.org/I103890011"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100721239","display_name":"Linwei Li","orcid":"https://orcid.org/0000-0002-8406-8322","observed_orcids":["https://orcid.org/0000-0002-8406-8322"]},"institutions":[{"id":"https://openalex.org/I103890011","display_name":"Shenyang Pharmaceutical University","ror":"https://ror.org/03dnytd23","country_code":"CN","type":"education","lineage":["https://openalex.org/I103890011"]},{"id":"https://openalex.org/I48780066","display_name":"Shenyang University of Chemical Technology","ror":"https://ror.org/03dbpdh75","country_code":"CN","type":"education","lineage":["https://openalex.org/I48780066"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Linwei Li","raw_affiliation_strings":["Department of Pharmaceutical Engineering, Shenyang University of Chemical Technology, Liaoning, 110042, China","Key Laboratory of Structure-Based Drug Design and Discovery, Shenyang Pharmaceutical University, Ministry of Education, Shenyang, 110016, PR China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Engineering, Shenyang University of Chemical Technology, Liaoning, 110042, China","institution_ids":["https://openalex.org/I48780066"]},{"raw_affiliation_string":"Key Laboratory of Structure-Based Drug Design and Discovery, Shenyang Pharmaceutical University, Ministry of Education, Shenyang, 110016, PR China","institution_ids":["https://openalex.org/I103890011"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100318325","display_name":"W\u011bi Li","orcid":"https://orcid.org/0000-0002-9522-4474","observed_orcids":["https://orcid.org/0000-0002-9522-4474","https://orcid.org/0000-0003-4136-3409","https://orcid.org/0009-0009-9141-6389"]},"institutions":[{"id":"https://openalex.org/I48780066","display_name":"Shenyang University of Chemical Technology","ror":"https://ror.org/03dbpdh75","country_code":"CN","type":"education","lineage":["https://openalex.org/I48780066"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wei Li","raw_affiliation_strings":["Department of Pharmaceutical Engineering, Shenyang University of Chemical Technology, Liaoning, 110042, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Engineering, Shenyang University of Chemical Technology, Liaoning, 110042, China","institution_ids":["https://openalex.org/I48780066"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100370521","display_name":"Jian Wang","orcid":"https://orcid.org/0000-0002-9589-4056","observed_orcids":["https://orcid.org/0000-0002-9589-4056"]},"institutions":[{"id":"https://openalex.org/I103890011","display_name":"Shenyang Pharmaceutical University","ror":"https://ror.org/03dnytd23","country_code":"CN","type":"education","lineage":["https://openalex.org/I103890011"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Jian Wang","raw_affiliation_strings":["Key Laboratory of Structure-Based Drug Design and Discovery, Shenyang Pharmaceutical University, Ministry of Education, Shenyang, 110016, PR China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory of Structure-Based Drug Design and Discovery, Shenyang Pharmaceutical University, Ministry of Education, Shenyang, 110016, PR China","institution_ids":["https://openalex.org/I103890011"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5041289243","display_name":"Tiemin Sun","orcid":"https://orcid.org/0000-0002-9981-0243","observed_orcids":["https://orcid.org/0000-0002-9981-0243"]},"institutions":[{"id":"https://openalex.org/I103890011","display_name":"Shenyang Pharmaceutical University","ror":"https://ror.org/03dnytd23","country_code":"CN","type":"education","lineage":["https://openalex.org/I103890011"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Tiemin Sun","raw_affiliation_strings":["Key Laboratory of Structure-Based Drug Design and Discovery, Shenyang Pharmaceutical University, Ministry of Education, Shenyang, 110016, PR China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory of Structure-Based Drug Design and Discovery, Shenyang Pharmaceutical University, Ministry of Education, Shenyang, 110016, PR China","institution_ids":["https://openalex.org/I103890011"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5041289243","https://openalex.org/A5100370521"],"corresponding_institution_ids":["https://openalex.org/I103890011"],"apc_list":{"value":3360,"currency":"USD","value_usd":3360},"apc_paid":null,"fwci":0.3662,"has_fulltext":false,"cited_by_count":10,"citation_normalized_percentile":{"value":0.48233458,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":97},"biblio":{"volume":"1175","issue":null,"first_page":"638","last_page":"647"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11025","display_name":"Nonlinear Optical Materials Research","score":0.44749999046325684,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11025","display_name":"Nonlinear Optical Materials Research","score":0.44749999046325684,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"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/T10464","display_name":"Crystal structures of chemical compounds","score":0.37279999256134033,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10798","display_name":"Crystallography and molecular interactions","score":0.0738999992609024,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/stat3","display_name":"STAT3","score":0.9089999794960022},{"id":"https://openalex.org/keywords/molecular-probes","display_name":"molecular probes","score":0.8560000061988831},{"id":"https://openalex.org/keywords/crystal-structure","display_name":"crystal structure","score":0.597000002861023},{"id":"https://openalex.org/keywords/vibrational-spectra","display_name":"vibrational spectra","score":0.7760000228881836},{"id":"https://openalex.org/keywords/molecular-electrostatic-potential","display_name":"molecular electrostatic potential","score":0.9290000200271606},{"id":"https://openalex.org/keywords/frontier-molecular-orbitals","display_name":"frontier molecular orbitals","score":0.8619999885559082},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.8859999775886536},{"id":"https://openalex.org/keywords/agonistic-activity","display_name":"agonistic activity","score":0.7850000262260437},{"id":"https://openalex.org/keywords/organic-synthesis","display_name":"organic synthesis","score":0.4740000069141388}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.892609715461731},{"id":"https://openalex.org/C61276311","wikidata":"https://www.wikidata.org/wiki/Q624543","display_name":"Monoclinic crystal system","level":3,"score":0.6397925615310669},{"id":"https://openalex.org/C139358910","wikidata":"https://www.wikidata.org/wiki/Q725417","display_name":"Molecular orbital","level":3,"score":0.6043508052825928},{"id":"https://openalex.org/C73922627","wikidata":"https://www.wikidata.org/wiki/Q754943","display_name":"Single crystal","level":2,"score":0.47973719239234924},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.4544227421283722},{"id":"https://openalex.org/C88045685","wikidata":"https://www.wikidata.org/wiki/Q174576","display_name":"Activator (genetics)","level":3,"score":0.4518031179904938},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.4373123347759247},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.4258817732334137},{"id":"https://openalex.org/C89025888","wikidata":"https://www.wikidata.org/wiki/Q911907","display_name":"Dihedral angle","level":4,"score":0.42304107546806335},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.38221102952957153},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.34003692865371704},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.24831998348236084},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.1034267246723175},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.06100723147392273},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.05865144729614258}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.molstruc.2018.08.035","doi":"https://doi.org/10.1016/j.molstruc.2018.08.035","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.molstruc.2018.08.035","pdf_url":null,"source":{"id":"https://openalex.org/S203479135","display_name":"Journal of Molecular Structure","issn_l":"0022-2860","issn":["0022-2860","1872-8014"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-1","vabb-shw"],"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Structure","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320321408","display_name":"Ministry of Education","ror":"https://ror.org/01p262204"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":48,"referenced_works":["https://openalex.org/W1005476206","https://openalex.org/W1482693305","https://openalex.org/W1900188765","https://openalex.org/W1907568385","https://openalex.org/W1965275362","https://openalex.org/W1978208718","https://openalex.org/W1979368277","https://openalex.org/W1983385651","https://openalex.org/W1986187780","https://openalex.org/W1986682797","https://openalex.org/W1994894388","https://openalex.org/W2000724113","https://openalex.org/W2003783127","https://openalex.org/W2006273641","https://openalex.org/W2006470888","https://openalex.org/W2006925171","https://openalex.org/W2017180937","https://openalex.org/W2018435618","https://openalex.org/W2020372058","https://openalex.org/W2022692220","https://openalex.org/W2027747556","https://openalex.org/W2029203414","https://openalex.org/W2029645569","https://openalex.org/W2039458509","https://openalex.org/W2047937197","https://openalex.org/W2071987240","https://openalex.org/W2072477002","https://openalex.org/W2073795738","https://openalex.org/W2077252194","https://openalex.org/W2083155597","https://openalex.org/W2092837587","https://openalex.org/W2093340456","https://openalex.org/W2097167192","https://openalex.org/W2102183460","https://openalex.org/W2112754550","https://openalex.org/W2143197798","https://openalex.org/W2182141280","https://openalex.org/W2185710027","https://openalex.org/W2263248634","https://openalex.org/W2289518925","https://openalex.org/W2321429587","https://openalex.org/W2334184364","https://openalex.org/W2789459660","https://openalex.org/W2791558866","https://openalex.org/W2796022764","https://openalex.org/W2806628670","https://openalex.org/W4285719527","https://openalex.org/W6686994898"],"related_works":["https://openalex.org/W2940897729","https://openalex.org/W7161851585","https://openalex.org/W3198564762","https://openalex.org/W2556979892","https://openalex.org/W3207254055","https://openalex.org/W3200423796","https://openalex.org/W2305377347","https://openalex.org/W4386000131","https://openalex.org/W7148181516","https://openalex.org/W4285392853"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":1}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2018-08-22T00:00:00"}
