{"id":"https://openalex.org/W4408312759","doi":"https://doi.org/10.1186/s43094-025-00783-w","title":"Allosteric modulation of laeviganoid-based clerodane diterpenes derivatives in muscarinic acetylcholine M1 receptor against tinnitus: a structure-based virtual screening approach","display_name":"Allosteric modulation of laeviganoid-based clerodane diterpenes derivatives in muscarinic acetylcholine M1 receptor against tinnitus: a structure-based virtual screening approach","publication_year":2025,"publication_date":"2025-03-11","ids":{"openalex":"https://openalex.org/W4408312759","doi":"https://doi.org/10.1186/s43094-025-00783-w"},"language":"en","primary_location":{"id":"doi:10.1186/s43094-025-00783-w","doi":"https://doi.org/10.1186/s43094-025-00783-w","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s43094-025-00783-w","pdf_url":null,"source":{"id":"https://openalex.org/S2898388368","display_name":"Future Journal of Pharmaceutical Sciences","issn_l":"2314-7245","issn":["2314-7245","2314-7253"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-d","poland-20","russia-white-list-3"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Future Journal of Pharmaceutical Sciences","raw_type":"journal-article"},"parent_works":[],"lineage":["https://openalex.org/W4408312759"],"child_works_count":0,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"diamond","oa_url":"https://doi.org/10.1186/s43094-025-00783-w","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5043397706","display_name":"Jacilene Silva","orcid":"https://orcid.org/0000-0001-5008-858X","observed_orcids":["https://orcid.org/0000-0001-5008-858X"]},"institutions":[{"id":"https://openalex.org/I4210162876","display_name":"Universidade Regional do Cariri","ror":"https://ror.org/05y26ar20","country_code":"BR","type":"education","lineage":["https://openalex.org/I4210162876"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Jacilene Silva","raw_affiliation_strings":["Biological Chemistry Department, Regional University of Cariri, Crato, Cear\u00e1, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Biological Chemistry Department, Regional University of Cariri, Crato, Cear\u00e1, Brazil","institution_ids":["https://openalex.org/I4210162876"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002219307","display_name":"Matheus Nunes da Rocha","orcid":"https://orcid.org/0000-0002-0929-4565","observed_orcids":["https://orcid.org/0000-0002-0929-4565"]},"institutions":[{"id":"https://openalex.org/I102939073","display_name":"Universidade Estadual do Cear\u00e1","ror":"https://ror.org/00sec1m50","country_code":"BR","type":"education","lineage":["https://openalex.org/I102939073"]}],"countries":["BR"],"is_corresponding":true,"raw_author_name":"Matheus Nunes da Rocha","raw_affiliation_strings":["Postgraduate Program in Natural Sciences, State University of Cear\u00e1, Fortaleza, Cear\u00e1, Brazil"],"raw_orcid":"https://orcid.org/0000-0002-0929-4565","affiliations":[{"raw_affiliation_string":"Postgraduate Program in Natural Sciences, State University of Cear\u00e1, Fortaleza, Cear\u00e1, Brazil","institution_ids":["https://openalex.org/I102939073"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5077682978","display_name":"Victor Moreira de Oliveira","orcid":"https://orcid.org/0000-0002-9261-5656","observed_orcids":["https://orcid.org/0000-0002-9261-5656"]},"institutions":[{"id":"https://openalex.org/I102939073","display_name":"Universidade Estadual do Cear\u00e1","ror":"https://ror.org/00sec1m50","country_code":"BR","type":"education","lineage":["https://openalex.org/I102939073"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Victor Moreira de Oliveira","raw_affiliation_strings":["Postgraduate Program in Natural Sciences, State University of Cear\u00e1, Fortaleza, Cear\u00e1, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Postgraduate Program in Natural Sciences, State University of Cear\u00e1, Fortaleza, Cear\u00e1, Brazil","institution_ids":["https://openalex.org/I102939073"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5008854442","display_name":"Caio Henrique Alexandre Roberto","orcid":"https://orcid.org/0000-0001-7590-5830","observed_orcids":["https://orcid.org/0000-0001-7590-5830"]},"institutions":[{"id":"https://openalex.org/I102939073","display_name":"Universidade Estadual do Cear\u00e1","ror":"https://ror.org/00sec1m50","country_code":"BR","type":"education","lineage":["https://openalex.org/I102939073"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Caio Henrique Alexandre Roberto","raw_affiliation_strings":["Postgraduate Program in Natural Sciences, State University of Cear\u00e1, Fortaleza, Cear\u00e1, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Postgraduate Program in Natural Sciences, State University of Cear\u00e1, Fortaleza, Cear\u00e1, Brazil","institution_ids":["https://openalex.org/I102939073"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049655109","display_name":"Francisco Nithael Melo L\u00facio","orcid":"https://orcid.org/0000-0002-3652-1102","observed_orcids":["https://orcid.org/0000-0002-3652-1102"]},"institutions":[{"id":"https://openalex.org/I102939073","display_name":"Universidade Estadual do Cear\u00e1","ror":"https://ror.org/00sec1m50","country_code":"BR","type":"education","lineage":["https://openalex.org/I102939073"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Francisco Nithael Melo L\u00facio","raw_affiliation_strings":["Doctoral Program in Biotechnology, Northeast Biotechnology Network, State University of Cear\u00e1, Fortaleza, Cear\u00e1, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Doctoral Program in Biotechnology, Northeast Biotechnology Network, State University of Cear\u00e1, Fortaleza, Cear\u00e1, Brazil","institution_ids":["https://openalex.org/I102939073"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090259170","display_name":"M\u00e1rcia Machado Marinho","orcid":"https://orcid.org/0000-0002-7640-2220","observed_orcids":["https://orcid.org/0000-0002-7640-2220"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"M\u00e1rcia Machado Marinho","raw_affiliation_strings":["Science and Technology Center, State University of Acara\u00fa Valley, Crato, Cear\u00e1, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Science and Technology Center, State University of Acara\u00fa Valley, Crato, Cear\u00e1, Brazil","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5031715759","display_name":"H\u00e9lcio Silva dos Santos","orcid":"https://orcid.org/0000-0001-5527-164X","observed_orcids":["https://orcid.org/0000-0001-5527-164X"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"H\u00e9lcio Silva dos Santos","raw_affiliation_strings":["Science and Technology Center, State University of Acara\u00fa Valley, Crato, Cear\u00e1, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Science and Technology Center, State University of Acara\u00fa Valley, Crato, Cear\u00e1, Brazil","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5072220387","display_name":"Emmanuel Silva Marinho","orcid":"https://orcid.org/0000-0002-4774-8775","observed_orcids":["https://orcid.org/0000-0002-4774-8775","https://orcid.org/0000-0001-5527-164X"]},"institutions":[{"id":"https://openalex.org/I102939073","display_name":"Universidade Estadual do Cear\u00e1","ror":"https://ror.org/00sec1m50","country_code":"BR","type":"education","lineage":["https://openalex.org/I102939073"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Emmanuel Silva Marinho","raw_affiliation_strings":["Postgraduate Program in Natural Sciences, State University of Cear\u00e1, Fortaleza, Cear\u00e1, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Postgraduate Program in Natural Sciences, State University of Cear\u00e1, Fortaleza, Cear\u00e1, Brazil","institution_ids":["https://openalex.org/I102939073"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5002219307"],"corresponding_institution_ids":["https://openalex.org/I102939073"],"apc_list":{"value":0,"currency":"USD","value_usd":0},"apc_paid":null,"fwci":0.5725,"has_fulltext":false,"cited_by_count":2,"citation_normalized_percentile":{"value":0.56444906,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":95},"biblio":{"volume":"11","issue":"1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.92330002784729,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.92330002784729,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10334","display_name":"Hearing, Cochlea, Tinnitus, Genetics","score":0.017000000923871994,"subfield":{"id":"https://openalex.org/subfields/2809","display_name":"Sensory Systems"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12530","display_name":"Bioactive Natural Diterpenoids Research","score":0.008100000210106373,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic 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/chronic-tinnitus","display_name":"chronic tinnitus","score":0.9710000157356262},{"id":"https://openalex.org/keywords/muscarinic-m1-receptor","display_name":"M1 muscarinic receptor","score":0.9399999976158142},{"id":"https://openalex.org/keywords/clerodane-diterpenoids","display_name":"clerodane diterpenoids","score":0.9679999947547913},{"id":"https://openalex.org/keywords/allosteric-modulation","display_name":"allosteric modulation","score":0.9789999723434448},{"id":"https://openalex.org/keywords/structure-based-virtual-screening","display_name":"structure-based virtual screening","score":0.9350000023841858},{"id":"https://openalex.org/keywords/cns-drug-candidates","display_name":"CNS drug candidates","score":0.5609999895095825},{"id":"https://openalex.org/keywords/pharmacokinetic-prediction","display_name":"pharmacokinetic prediction","score":0.8479999899864197},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.8510000109672546},{"id":"https://openalex.org/keywords/molecular-dynamics-simulation","display_name":"molecular dynamics simulation","score":0.9150000214576721},{"id":"https://openalex.org/keywords/natural-product-derivatives","display_name":"natural product derivatives","score":0.5350000262260437}],"concepts":[{"id":"https://openalex.org/C33789571","wikidata":"https://www.wikidata.org/wiki/Q410959","display_name":"Muscarinic acetylcholine receptor","level":3,"score":0.7381637692451477},{"id":"https://openalex.org/C166342909","wikidata":"https://www.wikidata.org/wiki/Q845326","display_name":"Allosteric regulation","level":3,"score":0.6660775542259216},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.6115403175354004},{"id":"https://openalex.org/C169760540","wikidata":"https://www.wikidata.org/wiki/Q207011","display_name":"Neuroscience","level":1,"score":0.5643664598464966},{"id":"https://openalex.org/C2776038425","wikidata":"https://www.wikidata.org/wiki/Q2649417","display_name":"Allosteric modulator","level":4,"score":0.5599377751350403},{"id":"https://openalex.org/C2775910092","wikidata":"https://www.wikidata.org/wiki/Q180623","display_name":"Acetylcholine","level":2,"score":0.5439264178276062},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.45190703868865967},{"id":"https://openalex.org/C47488739","wikidata":"https://www.wikidata.org/wiki/Q17861931","display_name":"Muscarinic acetylcholine receptor M2","level":4,"score":0.4473405182361603},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.39645034074783325},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.37092941999435425},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.28144940733909607},{"id":"https://openalex.org/C15744967","wikidata":"https://www.wikidata.org/wiki/Q9418","display_name":"Psychology","level":0,"score":0.2757176160812378},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.18319958448410034},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.13457518815994263}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1186/s43094-025-00783-w","doi":"https://doi.org/10.1186/s43094-025-00783-w","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s43094-025-00783-w","pdf_url":null,"source":{"id":"https://openalex.org/S2898388368","display_name":"Future Journal of Pharmaceutical Sciences","issn_l":"2314-7245","issn":["2314-7245","2314-7253"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-d","poland-20","russia-white-list-3"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Future Journal of Pharmaceutical Sciences","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:add7a8ddb19641db8ca8dc7226c6d6ab","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/add7a8ddb19641db8ca8dc7226c6d6ab","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":"Future Journal of Pharmaceutical Sciences, Vol 11, Iss 1, Pp 1-20 (2025)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1186/s43094-025-00783-w","doi":"https://doi.org/10.1186/s43094-025-00783-w","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s43094-025-00783-w","pdf_url":null,"source":{"id":"https://openalex.org/S2898388368","display_name":"Future Journal of Pharmaceutical Sciences","issn_l":"2314-7245","issn":["2314-7245","2314-7253"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-d","poland-20","russia-white-list-3"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Future Journal of Pharmaceutical Sciences","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.9391000270843506,"display_name":"Good health and well-being"}],"study_designs":[],"awards":[{"id":"https://openalex.org/G2304714253","display_name":null,"funder_award_id":"04879791/2022","funder_id":"https://openalex.org/F4320323202","funder_display_name":"Funda\u00e7\u00e3o Cearense de Apoio ao Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico"},{"id":"https://openalex.org/G2324973720","display_name":null,"funder_award_id":"306008/202) 2-0","funder_id":"https://openalex.org/F4320322025","funder_display_name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico"},{"id":"https://openalex.org/G3400041185","display_name":null,"funder_award_id":"DCT-0182-00048.02.00/21","funder_id":"https://openalex.org/F4320322025","funder_display_name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico"}],"funders":[{"id":"https://openalex.org/F4320322025","display_name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico","ror":"https://ror.org/03swz6y49"},{"id":"https://openalex.org/F4320323202","display_name":"Funda\u00e7\u00e3o Cearense de Apoio ao Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico","ror":"https://ror.org/007pgtp80"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":63,"referenced_works":["https://openalex.org/W1568283839","https://openalex.org/W1915369334","https://openalex.org/W1975580333","https://openalex.org/W1997959546","https://openalex.org/W1998841164","https://openalex.org/W2000246385","https://openalex.org/W2006641674","https://openalex.org/W2012700578","https://openalex.org/W2040066247","https://openalex.org/W2042721486","https://openalex.org/W2067902357","https://openalex.org/W2076268609","https://openalex.org/W2094235329","https://openalex.org/W2097195817","https://openalex.org/W2107572441","https://openalex.org/W2132629607","https://openalex.org/W2160384674","https://openalex.org/W2168938595","https://openalex.org/W2289690291","https://openalex.org/W2295245722","https://openalex.org/W2300160852","https://openalex.org/W2326345919","https://openalex.org/W2327880765","https://openalex.org/W2395029922","https://openalex.org/W2415005901","https://openalex.org/W2539413229","https://openalex.org/W2552021415","https://openalex.org/W2555870966","https://openalex.org/W2563430249","https://openalex.org/W2566403941","https://openalex.org/W2593843857","https://openalex.org/W2754852978","https://openalex.org/W2765915358","https://openalex.org/W2769865684","https://openalex.org/W2796439090","https://openalex.org/W2888374459","https://openalex.org/W2926049480","https://openalex.org/W2946412700","https://openalex.org/W2950122554","https://openalex.org/W2952758360","https://openalex.org/W2996178807","https://openalex.org/W3040579901","https://openalex.org/W3041216416","https://openalex.org/W3045123750","https://openalex.org/W3127298239","https://openalex.org/W3168436232","https://openalex.org/W3175318380","https://openalex.org/W3199026326","https://openalex.org/W3206460295","https://openalex.org/W3210715008","https://openalex.org/W4225005354","https://openalex.org/W4225253308","https://openalex.org/W4280579813","https://openalex.org/W4296700375","https://openalex.org/W4308889801","https://openalex.org/W4310758411","https://openalex.org/W4313594868","https://openalex.org/W4322731633","https://openalex.org/W4366463888","https://openalex.org/W4376107762","https://openalex.org/W4382894279","https://openalex.org/W4388398850","https://openalex.org/W4390414232"],"related_works":["https://openalex.org/W4366463888","https://openalex.org/W2769865684","https://openalex.org/W7119349374","https://openalex.org/W2060815572","https://openalex.org/W1988046782","https://openalex.org/W2020696885","https://openalex.org/W2097856228","https://openalex.org/W7039903633","https://openalex.org/W2050067210","https://openalex.org/W2001680184"],"abstract_inverted_index":{"Abstract":[0],"Background":[1],"Chronic":[2],"tinnitus":[3],"is":[4,31,64,216],"a":[5,18,108,150,219],"complication":[6],"that":[7,85,124,136,177,212,231],"affects":[8],"the":[9,14,61,65,73,88,104,146,156,178,182,213,232,242,251,256],"central":[10,89],"nervous":[11,90],"system,":[12,63],"specifically":[13],"auditory":[15,47,53,62],"cortex,":[16],"causing":[17],"phantom":[19],"perception":[20],"of":[21,52,58,98,107,110,142,185,202,221,238,244],"sounds":[22],"and":[23,39,170,196],"noises":[24],"without":[25],"any":[26],"external":[27],"acoustic":[28],"stimulus.":[29],"It":[30],"more":[32],"frequent":[33],"in":[34,37,56,60,155,227,241],"men":[35],"than":[36],"women":[38],"can":[40,234,248],"be":[41],"caused":[42],"by":[43],"excessive":[44],"exposure":[45],"to":[46,82,102,159,250],"stimuli.":[48],"The":[49,96,119,140,226],"main":[50],"modulator":[51],"functions,":[54],"particularly":[55],"terms":[57],"neuroplasticity":[59],"M1":[66,187,240],"muscarinic":[67],"acetylcholine":[68],"receptor":[69],"(mAChR":[70],"M1).":[71],"In":[72],"literature,":[74],"natural":[75],"oxygenated":[76,133],"heterocyclic":[77,134],"compounds":[78,135],"have":[79,210],"been":[80],"used":[81],"develop":[83],"drugs":[84],"act":[86],"on":[87],"system":[91],"(CNS),":[92],"including":[93],"clerodane":[94,113],"diterpenes.":[95],"aim":[97],"this":[99],"study":[100],"was":[101],"evaluate":[103],"modulatory":[105],"action":[106],"series":[109],"naturally":[111],"occurring":[112],"diterpenes":[114],"against":[115],"chronic":[116],"tinnitus.":[117],"Results":[118],"structure-based":[120],"virtual":[121],"screening":[122],"revealed":[123],"Laeviganoid":[125],"derivatives":[126],"L1-8":[127],"share":[128],"structural":[129],"similarities":[130],"with":[131,181,191,198],"other":[132],"modulate":[137],"mAChR":[138,186,239],"M1.":[139],"prediction":[141],"pharmacokinetic":[143],"properties":[144],"highlighted":[145],"L4":[147,233],"derivative":[148],"as":[149,218,246,255],"potential":[151],"candidate":[152],"for":[153],"distribution":[154],"CNS":[157],"due":[158],"its":[160],"high":[161],"cell":[162],"permeability":[163],"(Papp,A\u2192B":[164],"=":[165],"1.9":[166],"\u00d7":[167],"10\u22125":[168],"cm/s)":[169],"metabolic":[171],"stability.":[172],"Molecular":[173,207],"docking":[174],"simulations":[175,209],"indicate":[176],"ligand":[179],"interacts":[180],"active":[183],"site":[184,254],"through":[188],"hydrophobic":[189],"interactions":[190],"residues":[192],"Tyr106,":[193],"Trp378,":[194],"Tyr381":[195],"Tyr404,":[197],"an":[199],"affinity":[200],"energy":[201],"approximately":[203],"\u2212":[204],"8.7":[205],"kcal/mol.":[206],"dynamics":[208],"shown":[211],"L4/M1":[214],"complex":[215],"stable":[217],"function":[220],"time":[222],"(200":[223],"ns).":[224],"Conclusion":[225],"silico":[228],"results":[229],"suggest":[230],"perform":[235],"allosteric":[236],"modulation":[237],"treatment":[243],"tinnitus,":[245],"it":[247],"bind":[249],"same":[252],"interaction":[253],"tiotropium.":[257]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1}],"updated_date":"2026-10-11T09:32:39.932853","created_date":"2025-03-12T00:00:00"}