{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,19]],"date-time":"2026-03-19T10:58:35Z","timestamp":1773917915109,"version":"3.50.1"},"reference-count":33,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2026,3,1]],"date-time":"2026-03-01T00:00:00Z","timestamp":1772323200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2026,3,1]],"date-time":"2026-03-01T00:00:00Z","timestamp":1772323200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2026,3,1]],"date-time":"2026-03-01T00:00:00Z","timestamp":1772323200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2026,3,1]],"date-time":"2026-03-01T00:00:00Z","timestamp":1772323200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,3,1]],"date-time":"2026-03-01T00:00:00Z","timestamp":1772323200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2026,3,1]],"date-time":"2026-03-01T00:00:00Z","timestamp":1772323200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,3,1]],"date-time":"2026-03-01T00:00:00Z","timestamp":1772323200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Journal of Molecular Graphics and Modelling"],"published-print":{"date-parts":[[2026,3]]},"DOI":"10.1016\/j.jmgm.2025.109257","type":"journal-article","created":{"date-parts":[[2025,12,13]],"date-time":"2025-12-13T16:12:44Z","timestamp":1765642364000},"page":"109257","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":0,"special_numbering":"C","title":["In silico identification of food-grade cooling compounds targeting TRPM8 and TRPA1: A dual-target approach"],"prefix":"10.1016","volume":"143","author":[{"ORCID":"https:\/\/orcid.org\/0009-0004-3909-761X","authenticated-orcid":false,"given":"Zhongwei","family":"Zhang","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jun","family":"Wang","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yu","family":"Liu","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Xiangyu","family":"Li","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hao","family":"Shu","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jideng","family":"Chu","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Zhangqi","family":"Chai","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Junsong","family":"Xiao","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Guangwen","family":"Ma","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hua","family":"Wu","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"issue":"1","key":"10.1016\/j.jmgm.2025.109257_bib1","doi-asserted-by":"crossref","first-page":"91","DOI":"10.1016\/j.molbrainres.2005.01.013","article-title":"TRPM8 protein localization in trigeminal ganglion and taste papillae","volume":"136","author":"Abe","year":"2005","journal-title":"Mol. Brain Res."},{"key":"10.1016\/j.jmgm.2025.109257_bib2","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1016\/j.softx.2015.06.001","article-title":"GROMACS: high performance molecular simulations through multi-level parallelism from laptops to supercomputers","volume":"1\u20132","author":"Abraham","year":"2015","journal-title":"SoftwareX"},{"issue":"3","key":"10.1016\/j.jmgm.2025.109257_bib3","doi-asserted-by":"crossref","first-page":"403","DOI":"10.1016\/S0022-2836(05)80360-2","article-title":"Basic local alignment search tool","volume":"215","author":"Altschul","year":"1990","journal-title":"J. Mol. Biol."},{"issue":"3","key":"10.1016\/j.jmgm.2025.109257_bib4","doi-asserted-by":"crossref","first-page":"1085","DOI":"10.1007\/s10787-024-01631-8","article-title":"Herbal remedies for oral and dental health: a comprehensive review of their multifaceted mechanisms including antimicrobial, anti-inflammatory, and antioxidant pathways","volume":"33","author":"Anwar","year":"2025","journal-title":"Inflammopharmacology"},{"issue":"16","key":"10.1016\/j.jmgm.2025.109257_bib5","doi-asserted-by":"crossref","DOI":"10.3390\/ijms21165929","article-title":"Taste the pain: the role of TRP channels in pain and taste perception","volume":"21","author":"Aroke","year":"2020","journal-title":"Int. J. Mol. Sci."},{"issue":"W1","key":"10.1016\/j.jmgm.2025.109257_bib6","doi-asserted-by":"crossref","first-page":"W513","DOI":"10.1093\/nar\/gkae303","article-title":"ProTox 3.0: a webserver for the prediction of toxicity of chemicals","volume":"52","author":"Banerjee","year":"2024","journal-title":"Nucleic Acids Res."},{"issue":"1","key":"10.1016\/j.jmgm.2025.109257_bib7","doi-asserted-by":"crossref","DOI":"10.1038\/s41598-017-11194-0","article-title":"Novel selective, potent naphthyl TRPM8 antagonists identified through a combined ligand- and structure-based virtual screening approach","volume":"7","author":"Beccari","year":"2017","journal-title":"Sci. Rep."},{"issue":"4","key":"10.1016\/j.jmgm.2025.109257_bib8","doi-asserted-by":"crossref","first-page":"324","DOI":"10.1159\/000514204","article-title":"Potential interplay between Nrf2, TRPA1, and TRPV1 in nutrients for the control of COVID-19","volume":"182","author":"Bousquet","year":"2021","journal-title":"Int. Arch. Allergy Immunol."},{"issue":"9","key":"10.1016\/j.jmgm.2025.109257_bib9","doi-asserted-by":"crossref","first-page":"1511","DOI":"10.1002\/pro.5560020916","article-title":"Verification of protein structures: patterns of nonbonded atomic interactions","volume":"2","author":"Colovos","year":"1993","journal-title":"Protein Sci."},{"issue":"46","key":"10.1016\/j.jmgm.2025.109257_bib10","doi-asserted-by":"crossref","first-page":"E1184","DOI":"10.1073\/pnas.1114124108","article-title":"Cytoplasmic ankyrin repeats of transient receptor potential A1 (TRPA1) dictate sensitivity to thermal and chemical stimuli","volume":"108","author":"Cordero-Morales","year":"2011","journal-title":"Proc. Natl. Acad. Sci."},{"issue":"6","key":"10.1016\/j.jmgm.2025.109257_bib11","doi-asserted-by":"crossref","first-page":"1121","DOI":"10.1007\/s11095-024-03703-4","article-title":"Relative performance of volume of distribution prediction methods for lipophilic drugs with uncertainty in LogP value","volume":"41","author":"Coutinho","year":"2024","journal-title":"Pharm. Res."},{"issue":"1","key":"10.1016\/j.jmgm.2025.109257_bib12","doi-asserted-by":"crossref","DOI":"10.1038\/srep42717","article-title":"SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules","volume":"7","author":"Daina","year":"2017","journal-title":"Sci. Rep."},{"key":"10.1016\/j.jmgm.2025.109257_bib13","doi-asserted-by":"crossref","DOI":"10.3390\/pharmaceutics16070951","article-title":"Design of novel TRPA1 agonists based on structure of natural vasodilator Carvacrol\u2014In vitro and in Silico studies","author":"\u0110ukanovi\u0107","year":"2024","journal-title":"Pharmaceutics"},{"issue":"8","key":"10.1016\/j.jmgm.2025.109257_bib14","doi-asserted-by":"crossref","first-page":"3891","DOI":"10.1021\/acs.jcim.1c00203","article-title":"AutoDock Vina 1.2.0: new docking methods, expanded force field, and Python bindings","volume":"61","author":"Eberhardt","year":"2021","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.jmgm.2025.109257_bib15","series-title":"Methods in Enzymology","doi-asserted-by":"crossref","first-page":"396","DOI":"10.1016\/S0076-6879(97)77022-8","article-title":"[20] VERIFY3D: assessment of protein models with three-dimensional profiles","author":"Eisenberg","year":"1997"},{"issue":"1","key":"10.1016\/j.jmgm.2025.109257_bib16","doi-asserted-by":"crossref","first-page":"286","DOI":"10.1186\/s12906-024-04579-y","article-title":"Moringa oleifera flowers: insights into their aroma chemistry, anti-inflammatory, antioxidant, and enzyme inhibitory properties","volume":"24","author":"Fahmy","year":"2024","journal-title":"BMC Complement. Med. Ther."},{"issue":"Suppl 2","key":"10.1016\/j.jmgm.2025.109257_bib17","doi-asserted-by":"crossref","first-page":"ii50","DOI":"10.1136\/tobaccocontrol-2016-053209","article-title":"Menthol decreases oral nicotine aversion in C57BL\/6 mice through a TRPM8-dependent mechanism","volume":"25","author":"Fan","year":"2016","journal-title":"Tob. Control"},{"issue":"10","key":"10.1016\/j.jmgm.2025.109257_bib18","doi-asserted-by":"crossref","DOI":"10.1016\/j.heliyon.2024.e31001","article-title":"Visual analysis of global research on the transient receptor potential ankyrin 1 channel: a literature review from 2002 to 2022","volume":"10","author":"Gao","year":"2024","journal-title":"Heliyon"},{"issue":"3\u20134","key":"10.1016\/j.jmgm.2025.109257_bib19","first-page":"271","volume":"1","author":"Hollingsworth","year":"2010","journal-title":"A fresh look at the Ramachandran plot and the occurrence of standard structures in proteins"},{"issue":"1","key":"10.1016\/j.jmgm.2025.109257_bib20","doi-asserted-by":"crossref","first-page":"71","DOI":"10.1038\/nmeth.4067","article-title":"CHARMM36m: an improved force field for folded and intrinsically disordered proteins","volume":"14","author":"Huang","year":"2017","journal-title":"Nat. Methods"},{"issue":"16","key":"10.1016\/j.jmgm.2025.109257_bib21","doi-asserted-by":"crossref","DOI":"10.3390\/ijms22168502","article-title":"TRPM8 channels: advances in structural studies and pharmacological modulation","volume":"22","author":"Izquierdo","year":"2021","journal-title":"Int. J. Mol. Sci."},{"issue":"11","key":"10.1016\/j.jmgm.2025.109257_bib22","doi-asserted-by":"crossref","first-page":"1859","DOI":"10.1002\/jcc.20945","article-title":"CHARMM-GUI: a web-based graphical user interface for CHARMM","volume":"29","author":"Jo","year":"2008","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.jmgm.2025.109257_bib23","doi-asserted-by":"crossref","DOI":"10.1016\/j.neulet.2024.137763","article-title":"Hypothalamic TRPM8 and TRPA1 ion channel genes in the regulation of temperature homeostasis at water balance changes","volume":"828","author":"Kozyreva","year":"2024","journal-title":"Neurosci. Lett."},{"issue":"23","key":"10.1016\/j.jmgm.2025.109257_bib24","doi-asserted-by":"crossref","first-page":"2839","DOI":"10.2174\/09298673113209990001","article-title":"Virtual screening strategies in drug discovery: a critical review","volume":"20","author":"Lavecchia","year":"2013","journal-title":"Curr. Med. Chem."},{"issue":"1","key":"10.1016\/j.jmgm.2025.109257_bib25","doi-asserted-by":"crossref","DOI":"10.1038\/s41598-018-31487-2","article-title":"TRPM8 and TRPA1 do not contribute to dental pulp sensitivity to cold","volume":"8","author":"Michot","year":"2018","journal-title":"Sci. Rep."},{"issue":"6","key":"10.1016\/j.jmgm.2025.109257_bib26","doi-asserted-by":"crossref","DOI":"10.1523\/ENEURO.0328-21.2022","article-title":"Localization of TRP channels in healthy oral mucosa from human donors","volume":"9","author":"Moayedi","year":"2022","journal-title":"eNeuro"},{"issue":"11","key":"10.1016\/j.jmgm.2025.109257_bib27","doi-asserted-by":"crossref","DOI":"10.3390\/antiox10111848","article-title":"Antioxidant-Rich natural raw materials in the prevention and treatment of selected oral cavity and periodontal diseases","volume":"10","author":"Pytko-Polo\u0144czyk","year":"2021","journal-title":"Antioxidants"},{"key":"10.1016\/j.jmgm.2025.109257_bib28","doi-asserted-by":"crossref","DOI":"10.1016\/j.ejmech.2024.117043","article-title":"TRPM8 and TRPA1 ideal targets for treating cold-induced pain","volume":"282","author":"Qi","year":"2025","journal-title":"Eur. J. Med. Chem."},{"issue":"4","key":"10.1016\/j.jmgm.2025.109257_bib29","doi-asserted-by":"crossref","first-page":"329","DOI":"10.2174\/138920307781369427","article-title":"Virtual screening in drug discovery -- a computational perspective","volume":"8","author":"Reddy","year":"2007","journal-title":"Curr. Protein Pept. Sci."},{"issue":"1","key":"10.1016\/j.jmgm.2025.109257_bib30","doi-asserted-by":"crossref","first-page":"145","DOI":"10.1186\/s12903-019-0830-5","article-title":"Silver diamine fluoride for managing carious lesions: an umbrella review","volume":"19","author":"Seifo","year":"2019","journal-title":"BMC Oral Health"},{"issue":"4","key":"10.1016\/j.jmgm.2025.109257_bib31","doi-asserted-by":"crossref","first-page":"671","DOI":"10.1002\/jcc.21367","article-title":"CHARMM general force field: a force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields","volume":"31","author":"Vanommeslaeghe","year":"2010","journal-title":"J. Comput. Chem."},{"issue":"W1","key":"10.1016\/j.jmgm.2025.109257_bib32","doi-asserted-by":"crossref","first-page":"W296","DOI":"10.1093\/nar\/gky427","article-title":"SWISS-MODEL: homology modelling of protein structures and complexes","volume":"46","author":"Waterhouse","year":"2018","journal-title":"Nucleic Acids Res."},{"issue":"1","key":"10.1016\/j.jmgm.2025.109257_bib33","doi-asserted-by":"crossref","first-page":"3790","DOI":"10.1038\/s41467-020-17582-x","article-title":"Molecular mechanisms underlying menthol binding and activation of TRPM8 ion channel","volume":"11","author":"Xu","year":"2020","journal-title":"Nat. Commun."}],"container-title":["Journal of Molecular Graphics and Modelling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1093326325003171?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1093326325003171?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,3,19]],"date-time":"2026-03-19T05:52:26Z","timestamp":1773899546000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1093326325003171"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,3]]},"references-count":33,"alternative-id":["S1093326325003171"],"URL":"https:\/\/doi.org\/10.1016\/j.jmgm.2025.109257","relation":{},"ISSN":["1093-3263"],"issn-type":[{"value":"1093-3263","type":"print"}],"subject":[],"published":{"date-parts":[[2026,3]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"In silico identification of food-grade cooling compounds targeting TRPM8 and TRPA1: A dual-target approach","name":"articletitle","label":"Article Title"},{"value":"Journal of Molecular Graphics and Modelling","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.jmgm.2025.109257","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2025 Elsevier Inc. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"109257"}}