{"id":"https://openalex.org/W1974327267","doi":"https://doi.org/10.1021/ci5004224","title":"Topology of the Interactions Pattern in Pharmaceutically Relevant Polymorphs of Methylxanthines (Caffeine, Theobromine, and Theophiline): Combined Experimental (<sup>1</sup>H\u2013<sup>14</sup>N Nuclear Quadrupole Double Resonance) and Computational (DFT and Hirshfeld-Based) Study","display_name":"Topology of the Interactions Pattern in Pharmaceutically Relevant Polymorphs of Methylxanthines (Caffeine, Theobromine, and Theophiline): Combined Experimental (<sup>1</sup>H\u2013<sup>14</sup>N Nuclear Quadrupole Double Resonance) and Computational (DFT and Hirshfeld-Based) Study","publication_year":2014,"publication_date":"2014-09-03","ids":{"openalex":"https://openalex.org/W1974327267","doi":"https://doi.org/10.1021/ci5004224","mag":"1974327267","pmid":"https://pubmed.ncbi.nlm.nih.gov/25184363"},"language":"en","primary_location":{"id":"doi:10.1021/ci5004224","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci5004224","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"publisher-specific-oa","license_id":"https://openalex.org/licenses/publisher-specific-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"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/A5016885200","display_name":"Jolanta Natalia Latosi\u0144ska","orcid":"https://orcid.org/0000-0002-9147-4484"},"institutions":[{"id":"https://openalex.org/I59411706","display_name":"Adam Mickiewicz University in Pozna\u0144","ror":"https://ror.org/04g6bbq64","country_code":"PL","type":"education","lineage":["https://openalex.org/I59411706"]}],"countries":["PL"],"is_corresponding":true,"raw_author_name":"Jolanta Natalia Latosi\u0144ska","raw_affiliation_strings":["Faculty of Physics, Adam Mickiewicz University , Umultowska 85, 61-614 Pozna\u0144, Poland","Faculty of Physics, Adam Mickiewicz University, Umultowska 85, 61\u2010614 Pozna\u0144, Poland"],"affiliations":[{"raw_affiliation_string":"Faculty of Physics, Adam Mickiewicz University , Umultowska 85, 61-614 Pozna\u0144, Poland","institution_ids":["https://openalex.org/I59411706"]},{"raw_affiliation_string":"Faculty of Physics, Adam Mickiewicz University, Umultowska 85, 61\u2010614 Pozna\u0144, Poland","institution_ids":["https://openalex.org/I59411706"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5044336156","display_name":"Magdalena Latosi\u0144ska","orcid":"https://orcid.org/0000-0002-9603-295X"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Magdalena Latosi\u0144ska","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081682005","display_name":"Grzegorz Andrzej Olejniczak","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Grzegorz A. Olejniczak","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015950462","display_name":"J. Seliger","orcid":"https://orcid.org/0000-0002-7814-3285"},"institutions":[{"id":"https://openalex.org/I3006985408","display_name":"Jo\u017eef Stefan Institute","ror":"https://ror.org/05060sz93","country_code":"SI","type":"facility","lineage":["https://openalex.org/I3006985408"]},{"id":"https://openalex.org/I153976015","display_name":"University of Ljubljana","ror":"https://ror.org/05njb9z20","country_code":"SI","type":"education","lineage":["https://openalex.org/I153976015"]}],"countries":["SI"],"is_corresponding":false,"raw_author_name":"Janez Seliger","raw_affiliation_strings":["Faculty\rof Mathematics and Physics, University of Ljubljana, Jadranska\r19, 1000 Ljubljana, Slovenia","\u201cJozef Stefan\u201d Institute, Jamova 39, 1000 Ljubljana, Slovenia","Faculty#R#of Mathematics and Physics, University of Ljubljana, Jadranska#R#19, 1000 Ljubljana, Slovenia"],"affiliations":[{"raw_affiliation_string":"Faculty\rof Mathematics and Physics, University of Ljubljana, Jadranska\r19, 1000 Ljubljana, Slovenia","institution_ids":["https://openalex.org/I153976015"]},{"raw_affiliation_string":"\u201cJozef Stefan\u201d Institute, Jamova 39, 1000 Ljubljana, Slovenia","institution_ids":["https://openalex.org/I3006985408"]},{"raw_affiliation_string":"Faculty#R#of Mathematics and Physics, University of Ljubljana, Jadranska#R#19, 1000 Ljubljana, Slovenia","institution_ids":["https://openalex.org/I153976015"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5015757335","display_name":"V. \u017dagar","orcid":null},"institutions":[{"id":"https://openalex.org/I3006985408","display_name":"Jo\u017eef Stefan Institute","ror":"https://ror.org/05060sz93","country_code":"SI","type":"facility","lineage":["https://openalex.org/I3006985408"]}],"countries":["SI"],"is_corresponding":false,"raw_author_name":"Veselko \u017dagar","raw_affiliation_strings":["\u201cJozef Stefan\u201d Institute, Jamova 39, 1000 Ljubljana, Slovenia"],"affiliations":[{"raw_affiliation_string":"\u201cJozef Stefan\u201d Institute, Jamova 39, 1000 Ljubljana, Slovenia","institution_ids":["https://openalex.org/I3006985408"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5016885200"],"corresponding_institution_ids":["https://openalex.org/I59411706"],"apc_list":null,"apc_paid":null,"fwci":2.8116,"has_fulltext":false,"cited_by_count":23,"citation_normalized_percentile":{"value":0.90330334,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"54","issue":"9","first_page":"2570","last_page":"2584"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12381","display_name":"Electron Spin Resonance Studies","score":0.9919999837875366,"subfield":{"id":"https://openalex.org/subfields/1304","display_name":"Biophysics"},"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/T12381","display_name":"Electron Spin Resonance Studies","score":0.9919999837875366,"subfield":{"id":"https://openalex.org/subfields/1304","display_name":"Biophysics"},"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/T11584","display_name":"Biochemical Analysis and Sensing Techniques","score":0.9914000034332275,"subfield":{"id":"https://openalex.org/subfields/2916","display_name":"Nutrition and Dietetics"},"field":{"id":"https://openalex.org/fields/29","display_name":"Nursing"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T13551","display_name":"Biochemical effects in animals","score":0.9879999756813049,"subfield":{"id":"https://openalex.org/subfields/2737","display_name":"Physiology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/theobromine","display_name":"Theobromine","score":0.9266215562820435},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.7899191379547119},{"id":"https://openalex.org/keywords/theophylline","display_name":"Theophylline","score":0.6936373114585876},{"id":"https://openalex.org/keywords/xanthine","display_name":"Xanthine","score":0.6050693392753601},{"id":"https://openalex.org/keywords/nuclear-quadrupole-resonance","display_name":"Nuclear quadrupole resonance","score":0.5462101101875305},{"id":"https://openalex.org/keywords/hydrogen-bond","display_name":"Hydrogen bond","score":0.538810670375824},{"id":"https://openalex.org/keywords/caffeine","display_name":"Caffeine","score":0.5137118101119995},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.4166179299354553},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.3868914842605591},{"id":"https://openalex.org/keywords/crystallography","display_name":"Crystallography","score":0.36103731393814087},{"id":"https://openalex.org/keywords/nuclear-magnetic-resonance","display_name":"Nuclear magnetic resonance","score":0.2603795528411865},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.2153613567352295},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.15656828880310059}],"concepts":[{"id":"https://openalex.org/C2779765676","wikidata":"https://www.wikidata.org/wiki/Q206844","display_name":"Theobromine","level":3,"score":0.9266215562820435},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7899191379547119},{"id":"https://openalex.org/C2778095195","wikidata":"https://www.wikidata.org/wiki/Q407308","display_name":"Theophylline","level":2,"score":0.6936373114585876},{"id":"https://openalex.org/C2779470414","wikidata":"https://www.wikidata.org/wiki/Q50980","display_name":"Xanthine","level":3,"score":0.6050693392753601},{"id":"https://openalex.org/C2778981401","wikidata":"https://www.wikidata.org/wiki/Q638540","display_name":"Nuclear quadrupole resonance","level":2,"score":0.5462101101875305},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.538810670375824},{"id":"https://openalex.org/C2778500429","wikidata":"https://www.wikidata.org/wiki/Q60235","display_name":"Caffeine","level":2,"score":0.5137118101119995},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4166179299354553},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3868914842605591},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.36103731393814087},{"id":"https://openalex.org/C46141821","wikidata":"https://www.wikidata.org/wiki/Q209402","display_name":"Nuclear magnetic resonance","level":1,"score":0.2603795528411865},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.2153613567352295},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.15656828880310059},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C134018914","wikidata":"https://www.wikidata.org/wiki/Q162606","display_name":"Endocrinology","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014970","descriptor_name":"Xanthines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014970","descriptor_name":"Xanthines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014970","descriptor_name":"Xanthines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci5004224","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci5004224","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"publisher-specific-oa","license_id":"https://openalex.org/licenses/publisher-specific-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:25184363","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/25184363","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,"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":"Journal of chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Clean water and sanitation","id":"https://metadata.un.org/sdg/6","score":0.47999998927116394}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":86,"referenced_works":["https://openalex.org/W11417032","https://openalex.org/W32034058","https://openalex.org/W199431905","https://openalex.org/W602437118","https://openalex.org/W1515492821","https://openalex.org/W1559429837","https://openalex.org/W1791017374","https://openalex.org/W1905183855","https://openalex.org/W1965752441","https://openalex.org/W1966396755","https://openalex.org/W1966750682","https://openalex.org/W1969039983","https://openalex.org/W1971705264","https://openalex.org/W1973586986","https://openalex.org/W1975063585","https://openalex.org/W1975503504","https://openalex.org/W1977600553","https://openalex.org/W1978435372","https://openalex.org/W1978661579","https://openalex.org/W1979558330","https://openalex.org/W1982356449","https://openalex.org/W1984778456","https://openalex.org/W1987081708","https://openalex.org/W1991582117","https://openalex.org/W1994814321","https://openalex.org/W1995786355","https://openalex.org/W2001449443","https://openalex.org/W2001812399","https://openalex.org/W2007206995","https://openalex.org/W2007342471","https://openalex.org/W2012488984","https://openalex.org/W2014618690","https://openalex.org/W2017399877","https://openalex.org/W2018480710","https://openalex.org/W2022911913","https://openalex.org/W2023271753","https://openalex.org/W2024723379","https://openalex.org/W2025174591","https://openalex.org/W2025197304","https://openalex.org/W2028500499","https://openalex.org/W2029587770","https://openalex.org/W2029837010","https://openalex.org/W2031883244","https://openalex.org/W2039274618","https://openalex.org/W2041430827","https://openalex.org/W2043872854","https://openalex.org/W2045059436","https://openalex.org/W2048456395","https://openalex.org/W2057241511","https://openalex.org/W2058877202","https://openalex.org/W2066022538","https://openalex.org/W2069598749","https://openalex.org/W2069840236","https://openalex.org/W2070004510","https://openalex.org/W2079195789","https://openalex.org/W2079425603","https://openalex.org/W2079427077","https://openalex.org/W2086161769","https://openalex.org/W2089984491","https://openalex.org/W2090678151","https://openalex.org/W2091941062","https://openalex.org/W2092788021","https://openalex.org/W2092909606","https://openalex.org/W2102214365","https://openalex.org/W2107826009","https://openalex.org/W2108072925","https://openalex.org/W2112977530","https://openalex.org/W2117405916","https://openalex.org/W2117733329","https://openalex.org/W2119118548","https://openalex.org/W2124900584","https://openalex.org/W2128822428","https://openalex.org/W2129405353","https://openalex.org/W2134508367","https://openalex.org/W2143794453","https://openalex.org/W2157124942","https://openalex.org/W2157370656","https://openalex.org/W2168889002","https://openalex.org/W2285699421","https://openalex.org/W2313758756","https://openalex.org/W2314832196","https://openalex.org/W2320037517","https://openalex.org/W2321682199","https://openalex.org/W2326879005","https://openalex.org/W2462340454","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W2049902197","https://openalex.org/W2338043480","https://openalex.org/W2950269614","https://openalex.org/W2417278988","https://openalex.org/W2076021470","https://openalex.org/W2151638043","https://openalex.org/W2096138278","https://openalex.org/W2170409551","https://openalex.org/W2027903958","https://openalex.org/W2106068640"],"abstract_inverted_index":{"Three":[0],"anhydrous":[1,67,77],"methylxanthines:":[2],"caffeine":[3,68,146,153,300],"(1,3,7-trimethylxanthine;":[4],"1,3,7-trimethyl-1H-purine-2,6-(3H,7H)-dione)":[5],"and":[6,13,72,107,122,134,136,148,164,197,202,289,315],"its":[7],"two":[8],"metabolites":[9],"theophylline":[10,144,149],"(1,3-dimethylxanthine;":[11],"1,3-dimethyl-7H-purine-2,6-dione)":[12],"theobromine":[14,78,133,142,151],"(3,7-dimethyl-xanthine;":[15],"3,7-dimethyl-7H-purine-2,6-dione),":[16],"which":[17],"reveal":[18],"multifaceted":[19],"therapeutic":[20],"potential,":[21],"have":[22],"been":[23],"studied":[24],"experimentally":[25],"in":[26,87,132,138,171,221,242,246,252,301,313,319],"solid":[27,108],"state":[28],"by":[29,126],"(1)H-(14)N":[30],"NMR-NQR":[31],"(nuclear":[32],"magnetic":[33],"resonance-nuclear":[34],"quadrupole":[35],"resonance)":[36],"double":[37],"resonance":[38],"(NQDR).":[39],"For":[40],"each":[41],"compound":[42],"the":[43,59,97,110,123,162,169,178,189,192,214,228,243,260,270,278,281,302,305,320,326,329,338],"complete":[44],"NQR":[45,56,88,127],"spectrum":[46],"consisting":[47],"of":[48,55,61,66,76,84,99,175,191,208,216,249,266,269,280,287,291,328,331,340],"12":[49],"lines":[50,57],"was":[51,94],"recorded.":[52],"The":[53,82,113,140,206,264],"multiplicity":[54],"indicates":[58],"presence":[60],"a":[62,226,292],"stable":[63,73,247],"\u03b2":[64],"form":[65,74,195],"at":[69,79,109,161],"233":[70],"K":[71],"II":[75],"213":[80],"K.":[81],"assignment":[83],"signals":[85],"detected":[86,125],"experiment":[89],"to":[90,116,130,155,194,211,219,236,295],"particular":[91],"nitrogen":[92,217,271],"atoms":[93,218],"made":[95],"on":[96,188,277],"basis":[98,190],"quantum":[100],"chemistry":[101],"calculations":[102],"performed":[103],"for":[104,284,299,308],"monomer,":[105],"cluster,":[106],"DFT/GGA/BLYP/DPD":[111],"level.":[112],"shifts":[114,231],"due":[115],"crystal":[117],"packing":[118],"interactions":[119,199,245,282,306,332],"were":[120,128,257],"evaluated,":[121],"multiplets":[124],"assigned":[129],"N(9)":[131,137],"N(1)":[135,163],"caffeine.":[139],"ordering":[141],">":[143,145],"site":[147],"<":[150,152],"according":[154],"increasing":[156],"electric":[157],"field":[158],"gradient":[159],"(EFG)":[160],"N(7)":[165],"sites,":[166],"respectively,":[167],"reflects":[168],"changes":[170],"biological":[172],"activity":[173],"profile":[174],"compounds":[176],"from":[177,232],"methylxanthines":[179,250,311,316],"series":[180],"(different":[181],"pharmacological":[182],"effects).":[183],"This":[184],"difference":[185],"is":[186],"elucidated":[187],"ability":[193,215],"intra-":[196],"intermolecular":[198,244],"(hydrogen":[200],"bonds":[201],"\u03c0\u00b7\u00b7\u00b7\u03c0":[203,237],"stacking":[204,238],"interactions).":[205],"introduction":[207],"methyl":[209],"groups":[210],"xanthine":[212],"restricts":[213],"participate":[220],"strong":[222],"hydrogen":[223,233],"bonds;":[224],"as":[225],"result,":[227],"dominating":[229],"effect":[230],"bond":[234],"(theobromine)":[235],"(caffeine).":[239],"Substantial":[240],"differences":[241],"forms":[248],"differing":[251],"methylation":[253],"(site":[254],"or":[255],"number)":[256],"analyzed":[258],"within":[259],"Hirshfeld":[261],"surface-based":[262],"approach.":[263],"analysis":[265],"local":[267],"environment":[268],"nucleus":[272],"permitted":[273],"drawing":[274],"some":[275],"conclusions":[276],"nature":[279,339],"required":[283],"effective":[285],"processes":[286],"recognition":[288],"binding":[290],"given":[293],"methylxanthine":[294],"A1-A(2A)":[296],"receptor":[297],"(target":[298],"brain).":[303],"Although":[304],"responsible":[307],"linking":[309],"neighboring":[310],"molecules":[312],"crystals":[314],"with":[317],"targets":[318],"human":[321],"organism":[322],"can":[323],"differ":[324],"significantly,":[325],"knowledge":[327],"topology":[330],"provides":[333],"reliable":[334],"preliminary":[335],"information":[336],"about":[337],"this":[341],"binding.":[342]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":4},{"year":2015,"cited_by_count":2}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2016-06-24T00:00:00"}
