{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,19]],"date-time":"2025-11-19T11:39:10Z","timestamp":1763552350456,"version":"3.41.2"},"reference-count":51,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2025,9,1]],"date-time":"2025-09-01T00:00:00Z","timestamp":1756684800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2025,9,1]],"date-time":"2025-09-01T00:00:00Z","timestamp":1756684800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2025,6,16]],"date-time":"2025-06-16T00:00:00Z","timestamp":1750032000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100023453","name":"Norgine Ltd","doi-asserted-by":"crossref","id":[{"id":"10.13039\/501100023453","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["European Journal of Pharmaceutics and Biopharmaceutics"],"published-print":{"date-parts":[[2025,9]]},"DOI":"10.1016\/j.ejpb.2025.114765","type":"journal-article","created":{"date-parts":[[2025,6,5]],"date-time":"2025-06-05T20:20:08Z","timestamp":1749154808000},"page":"114765","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":2,"special_numbering":"C","title":["2-Hydroxypropyl-\u03b2-cyclodextrin, solubiliser in a novel dantrolene formulation: Its binding affinities to clinical compounds that may be used during anaesthesia or management of malignant hyperthermia"],"prefix":"10.1016","volume":"214","author":[{"given":"Richard H.","family":"Ng Kwet Shing","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1799-8447","authenticated-orcid":false,"given":"David J.","family":"Wright","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sandeep","family":"Pal","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Samuel L.","family":"Smith","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0009-0002-0072-3156","authenticated-orcid":false,"given":"Lucy B.","family":"Clayton","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jonathan G.","family":"Bilmen","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"key":"10.1016\/j.ejpb.2025.114765_b0005","doi-asserted-by":"crossref","first-page":"254","DOI":"10.1097\/00000542-198204000-00005","article-title":"Dantrolene in human malignant hyperthermia","volume":"56","author":"Kolb","year":"1982","journal-title":"Anesthesiology"},{"key":"10.1016\/j.ejpb.2025.114765_b0010","unstructured":"S. Watt, R.K. McAllister, Malignant Hyperthermia, in: StatPearls, StatPearls Publishing, Treasure Island (FL), 2023. http:\/\/www.ncbi.nlm.nih.gov\/books\/NBK430828\/ (accessed April 4, 2023)."},{"key":"10.1016\/j.ejpb.2025.114765_b0015","unstructured":"PubChem, Dantrolene Sodium, (2021). https:\/\/pubchem.ncbi.nlm.nih.gov\/compound\/6604100 (accessed August 8, 2024)."},{"key":"10.1016\/j.ejpb.2025.114765_b0020","doi-asserted-by":"crossref","first-page":"153","DOI":"10.1016\/j.jpba.2016.12.022","article-title":"Preparation, characterization and in vivo evaluation of a formulation of dantrolene sodium with hydroxypropyl-\u03b2-cyclodextrin","volume":"135","author":"Chen","year":"2017","journal-title":"J. Pharm. Biomed. Anal."},{"key":"10.1016\/j.ejpb.2025.114765_b0025","doi-asserted-by":"crossref","first-page":"364","DOI":"10.1111\/j.1365-2044.2004.03658.x","article-title":"Dantrolene \u2013 a review of its pharmacology, therapeutic use and new developments","volume":"59","author":"Krause","year":"2004","journal-title":"Anaesthesia"},{"key":"10.1016\/j.ejpb.2025.114765_b0030","doi-asserted-by":"crossref","unstructured":"R.H. Ng Kwet Shing, L.B. Clayton, S.L. Smith, M.J. Watson, L.M. McKenzie, D.P. Chalmers, G. Whitaker, J.G. Bilmen, The novel rapid formulation of intravenous dantrolene (NPJ5008) versus standard dantrolene (DANTRIUM IV): A clinical part-randomised phase 1 study in healthy volunteers, Eur. J. Anaesthesiol. 41 (2024) 381\u2013390. Doi: 10.1097\/EJA.0000000000001966.","DOI":"10.1097\/EJA.0000000000001966"},{"key":"10.1016\/j.ejpb.2025.114765_b0035","unstructured":"Agilus introduction, European Medicines Agency, (n.d.). https:\/\/www.ema.europa.eu\/en\/medicines\/human\/EPAR\/agilus (accessed July 20, 2024)."},{"key":"10.1016\/j.ejpb.2025.114765_b0040","unstructured":"Agilus 120 mg powder for solution for injection - Summary of Product Characteristics (SmPC) - (emc), (2024). https:\/\/www.medicines.org.uk\/emc\/product\/15912\/smpc#gref (accessed September 25, 2024)."},{"key":"10.1016\/j.ejpb.2025.114765_b0045","unstructured":"\u00a9 Copyright Swissmedic 2019, Access Consortium work-sharing authorisations, (n.d.). https:\/\/www.swissmedic.ch\/swissmedic\/en\/home\/ueber-uns\/internationale-zusammenarbeit\/multilaterale-zusammenarbeit-mit-internationalen-organisationen-\/access-consortium\/work-sharing-zl-swissmedic.html (accessed October 24, 2024)."},{"key":"10.1016\/j.ejpb.2025.114765_b0050","doi-asserted-by":"crossref","unstructured":"B.W. Brandom, A. Kang, E. Sivak, M. Young, Update on dantrolene in the treatment of anesthetic induced malignant hyperthermia, SOJ Anesthesiol. Pain Manag. Internet 2 (2015). https:\/\/symbiosisonlinepublishing.com\/anesthesiology-painmanagement\/anesthesiology-painmanagement21.php (accessed July 12, 2023).","DOI":"10.15226\/2374-684X\/2\/2\/00121"},{"key":"10.1016\/j.ejpb.2025.114765_b0055","doi-asserted-by":"crossref","first-page":"152","DOI":"10.1097\/CJ9.0000000000000028","article-title":"Dantrolene reconstitution: description of a simulation model in malignant hyperthermia","volume":"46","author":"Giraldo-Guti\u00e9rrez","year":"2018","journal-title":"Colomb. J. Anestesiol."},{"key":"10.1016\/j.ejpb.2025.114765_b0060","doi-asserted-by":"crossref","unstructured":"M.G. Larach, G.A. Gronert, G.C. Allen, B.W. Brandom, E.B. Lehman, Clinical presentation, treatment, and complications of malignant hyperthermia in North America from 1987 to 2006, Anesth. Analg. 110 (2010) 498\u2013507. Doi: 10.1213\/ANE.0b013e3181c6b9b2.","DOI":"10.1213\/ANE.0b013e3181c6b9b2"},{"key":"10.1016\/j.ejpb.2025.114765_b0065","doi-asserted-by":"crossref","first-page":"381","DOI":"10.1213\/ANE.0b013e3182937d8b","article-title":"Malignant hyperthermia in Canada: characteristics of index anesthetics in 129 malignant hyperthermia susceptible probands","volume":"118","author":"Riazi","year":"2014","journal-title":"Anesth. Analg."},{"key":"10.1016\/j.ejpb.2025.114765_b0070","unstructured":"H.K. Rosenbaum, H. Rosenberg, Malignant hyperthermia: Diagnosis and management of acute crisis, UpToDate (2022). https:\/\/www.uptodate.com\/contents\/malignant-hyperthermia-diagnosis-and-management-of-acute-crisis?search=treatment%20of%20malignant%20hyperthermia&source=search_result&selectedTitle=1\u223c138&usage_type=default&display_rank=1."},{"key":"10.1016\/j.ejpb.2025.114765_b0075","doi-asserted-by":"crossref","first-page":"654","DOI":"10.1016\/j.xphs.2020.10.026","article-title":"Cyclodextrins in parenteral formulations","volume":"110","author":"Loftsson","year":"2021","journal-title":"J. Pharm. Sci."},{"key":"10.1016\/j.ejpb.2025.114765_b0080","doi-asserted-by":"crossref","first-page":"9866","DOI":"10.1038\/s41598-023-36385-w","article-title":"Insights from molecular dynamics and DFT calculations into the interaction of 1,4-benzodiazepines with 2-hydroxypropyl-\u03b2CD in a theoretical study","volume":"13","author":"Ganjali Koli","year":"2023","journal-title":"Sci. Rep."},{"key":"10.1016\/j.ejpb.2025.114765_b0085","doi-asserted-by":"crossref","first-page":"1607","DOI":"10.1111\/j.2042-7158.2010.01030.x","article-title":"Pharmaceutical applications of cyclodextrins: basic science and product development","volume":"62","author":"Loftsson","year":"2010","journal-title":"J. Pharm. Pharmacol."},{"key":"10.1016\/j.ejpb.2025.114765_b0090","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0169-409X(98)00052-0","article-title":"Mechanisms of drug release from cyclodextrin complexes","volume":"36","author":"Stella","year":"1999","journal-title":"Adv. Drug Deliv. Rev."},{"key":"10.1016\/j.ejpb.2025.114765_b0095","doi-asserted-by":"crossref","first-page":"e0059","DOI":"10.1097\/EA9.0000000000000059","article-title":"A novel rapid formulation of intravenous dantrolene: Preclinical assessment","volume":"3","author":"Ng Kwet Shing","year":"2024","journal-title":"Eur. J. Anaesthesiol. Intensive Care"},{"key":"10.1016\/j.ejpb.2025.114765_b0100","doi-asserted-by":"crossref","first-page":"31","DOI":"10.1111\/j.1365-2044.2008.05868.x","article-title":"Cyclodextrins and the emergence of sugammadex","volume":"64","author":"Booij","year":"2009","journal-title":"Anaesthesia"},{"key":"10.1016\/j.ejpb.2025.114765_b0105","doi-asserted-by":"crossref","first-page":"302","DOI":"10.4103\/0259-1162.123211","article-title":"Sugammadex: A revolutionary drug in neuromuscular pharmacology","volume":"7","author":"Nag","year":"2013","journal-title":"Anesth. Essays Res."},{"key":"10.1016\/j.ejpb.2025.114765_b0110","doi-asserted-by":"crossref","DOI":"10.1016\/j.carbpol.2023.121500","article-title":"Cyclodextrins and derivatives in drug delivery: New developments, relevant clinical trials, and advanced products","volume":"324","author":"Kali","year":"2024","journal-title":"Carbohydr. Polym."},{"key":"10.1016\/j.ejpb.2025.114765_b0115","doi-asserted-by":"crossref","first-page":"1224","DOI":"10.1002\/cpt.1943","article-title":"Understanding the effect of hydroxypropyl-\u03b2-cyclodextrin on fenebrutinib absorption in an itraconazole\u2013fenebrutinib drug\u2013drug interaction study","volume":"108","author":"Durk","year":"2020","journal-title":"Clin. Pharmacol. Ther."},{"key":"10.1016\/j.ejpb.2025.114765_b0120","doi-asserted-by":"crossref","first-page":"30","DOI":"10.1177\/0192623307310945","article-title":"Cyclodextrins","volume":"36","author":"Stella","year":"2008","journal-title":"Toxicol. Pathol."},{"key":"10.1016\/j.ejpb.2025.114765_b0125","unstructured":"NICE, Anaesthesia (general) | Treatment summaries | BNF content published by NICE, British National Formulary. (2024). https:\/\/bnf.nice.org.uk\/treatment-summaries\/anaesthesia-general\/ (accessed February 15, 2024)."},{"key":"10.1016\/j.ejpb.2025.114765_b0130","doi-asserted-by":"crossref","first-page":"655","DOI":"10.1111\/anae.15317","article-title":"Malignant hyperthermia 2020","volume":"76","author":"Hopkins","year":"2021","journal-title":"Anaesthesia"},{"key":"10.1016\/j.ejpb.2025.114765_b0135","doi-asserted-by":"crossref","first-page":"113","DOI":"10.1023\/A:1008763014207","article-title":"Combined molecular mechanical and continuum solvent approach (MM-PBSA\/GBSA) to predict ligand binding","volume":"18","author":"Massova","year":"2000","journal-title":"Perspect. Drug Discov. Des."},{"key":"10.1016\/j.ejpb.2025.114765_b0140","doi-asserted-by":"crossref","unstructured":"C. Wang, D. Greene, L. Xiao, R. Qi, R. Luo, Recent developments and applications of the MMPBSA method, Front. Mol. Biosci. 4 (2018). https:\/\/www.frontiersin.org\/articles\/10.3389\/fmolb.2017.00087 (accessed February 23, 2024).","DOI":"10.3389\/fmolb.2017.00087"},{"key":"10.1016\/j.ejpb.2025.114765_b0145","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1155\/2015\/193049","article-title":"Comparison of three molecular simulation approaches for cyclodextrin-ibuprofen complexation","volume":"2015","author":"Wang","year":"2015","journal-title":"J. Nanomater."},{"key":"10.1016\/j.ejpb.2025.114765_b0150","doi-asserted-by":"crossref","first-page":"1863","DOI":"10.1039\/b415903a","article-title":"Mutual induced fit in cyclodextrin\u2013rocuronium complexes","volume":"3","author":"Cooper","year":"2005","journal-title":"Org. Biomol. Chem."},{"key":"10.1016\/j.ejpb.2025.114765_b0155","doi-asserted-by":"crossref","DOI":"10.1088\/0953-8984\/28\/38\/384002","article-title":"Predicting the binding free energy of the inclusion process of 2-hydroxypropyl-\u03b2-cyclodextrin and small molecules by means of the MM\/3D-RISM method","volume":"28","author":"Sugita","year":"2016","journal-title":"J. Phys. Condens. Matter"},{"key":"10.1016\/j.ejpb.2025.114765_b0160","unstructured":"CSD Entry: JAQBUZ Hepta-sodium rocuronium 6-perdeoxy-6-per(4-carboxylatophenyl)thio-\u03b3-cyclodextrin heptadecahydrate, Cambridge Crystallography Data Centre. (2005). https:\/\/www.ccdc.cam.ac.uk\/structures\/Search?Ccdcid=JAQBUZ&DatabaseToSearch=Published (accessed May 21, 2024)."},{"key":"10.1016\/j.ejpb.2025.114765_b0165","doi-asserted-by":"crossref","unstructured":"R.A. Friesner, J.L. Banks, R.B. Murphy, T.A. Halgren, J.J. Klicic, D.T. Mainz, M.P. Repasky, E.H. Knoll, M. Shelley, J.K. Perry, D.E. Shaw, P. Francis, P.S. Shenkin, Glide: A new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy, J. Med. Chem. 47 (2004) 1739\u20131749. doi: 10.1021\/jm0306430.","DOI":"10.1021\/jm0306430"},{"key":"10.1016\/j.ejpb.2025.114765_b0170","unstructured":"Molecular Dynamics - GROMACS 2023.3 documentation, www.GROMACS.org (2023). https:\/\/manual.gromacs.org\/documentation\/current\/reference-manual\/algorithms\/molecular-dynamics.html (accessed March 13, 2024)."},{"key":"10.1016\/j.ejpb.2025.114765_b0175","doi-asserted-by":"crossref","first-page":"845","DOI":"10.1093\/bioinformatics\/btt055","article-title":"GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit","volume":"29","author":"Pronk","year":"2013","journal-title":"Bioinformatics"},{"key":"10.1016\/j.ejpb.2025.114765_b0180","doi-asserted-by":"crossref","first-page":"1623","DOI":"10.1002\/jcc.10128","article-title":"Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation","volume":"23","author":"Jakalian","year":"2002","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.ejpb.2025.114765_b0185","doi-asserted-by":"crossref","first-page":"1157","DOI":"10.1002\/jcc.20035","article-title":"Development and testing of a general amber force field","volume":"25","author":"Wang","year":"2004","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.ejpb.2025.114765_b0190","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1016\/0021-9991(77)90098-5","article-title":"Numerical integration of the Cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes","volume":"23","author":"Ryckaert","year":"1977","journal-title":"J. Comput. Phys."},{"key":"10.1016\/j.ejpb.2025.114765_b0195","doi-asserted-by":"crossref","first-page":"10089","DOI":"10.1063\/1.464397","article-title":"Particle mesh Ewald: An N\u22c5log(N) method for Ewald sums in large systems","volume":"98","author":"Darden","year":"1993","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.ejpb.2025.114765_b0200","unstructured":"A. Wilter, Tutorial Using ACPYPE for GROMACS, GitHub (2022). https:\/\/github.com\/alanwilter\/acpype\/wiki\/Tutorial-Using-ACPYPE-for-GROMACS (accessed November 15, 2023)."},{"key":"10.1016\/j.ejpb.2025.114765_b0205","doi-asserted-by":"crossref","first-page":"114","DOI":"10.1002\/minf.201100135","article-title":"Free energy calculations by the molecular mechanics Poisson\u2013Boltzmann surface area method","volume":"31","author":"Homeyer","year":"2012","journal-title":"Mol. Inform."},{"key":"10.1016\/j.ejpb.2025.114765_b0210","doi-asserted-by":"crossref","first-page":"6281","DOI":"10.1021\/acs.jctc.1c00645","article-title":"gmx_MMPBSA: a new tool to perform end-state free energy calculations with GROMACS","volume":"17","author":"Vald\u00e9s-Tresanco","year":"2021","journal-title":"J. Chem. Theory Comput."},{"key":"10.1016\/j.ejpb.2025.114765_b0215","unstructured":"Home - gmx_MMPBSA Documentation, (n.d.). https:\/\/valdes-tresanco-ms.github.io\/gmx_MMPBSA\/dev\/ (accessed March 13, 2024)."},{"key":"10.1016\/j.ejpb.2025.114765_b0220","doi-asserted-by":"crossref","first-page":"2383","DOI":"10.3390\/ijms12042383","article-title":"Effect of 2-hydroxypropyl-\u03b2-cyclodextrin on solubility of sparingly soluble drug derivatives of anthranilic acid","volume":"12","author":"Doma\u0144ska","year":"2011","journal-title":"Int. J. Mol. Sci."},{"key":"10.1016\/j.ejpb.2025.114765_b0225","doi-asserted-by":"crossref","first-page":"811","DOI":"10.4236\/ajac.2012.312107","article-title":"Effect of cyclodextrin complexation on the aqueous solubility of diazepam and nitrazepam: phase-solubility analysis, thermodynamic properties","volume":"3","author":"Had\u017eiabdi\u0107","year":"2012","journal-title":"Am. J. Anal. Chem."},{"key":"10.1016\/j.ejpb.2025.114765_b0230","first-page":"48","article-title":"Part 1: Simple definition and calculation of accuracy, sensitivity and specificity","volume":"3","author":"Baratloo","year":"2015","journal-title":"Emergency"},{"key":"10.1016\/j.ejpb.2025.114765_b0235","doi-asserted-by":"crossref","first-page":"363","DOI":"10.1007\/s00249-021-01509-5","article-title":"Isothermal titration calorimetry (ITC): a standard operating procedure (SOP)","volume":"50","author":"Bastos","year":"2021","journal-title":"Eur. Biophys. J."},{"key":"10.1016\/j.ejpb.2025.114765_b0240","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1007\/978-1-0716-0920-0_15","article-title":"Unveiling the thermodynamic aspects of drug\u2013cyclodextrin interactions through isothermal titration calorimetry","volume":"2207","author":"Chatziathanasiadou","year":"2021","journal-title":"Methods Mol. Biol. Clifton NJ"},{"key":"10.1016\/j.ejpb.2025.114765_b0245","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1007\/BF03256937","article-title":"Assessment of the potential for displacement interactions with sugammadex: a pharmacokinetic-pharmacodynamic modelling approach","volume":"31","author":"Zwiers","year":"2011","journal-title":"Clin. Drug Investig."},{"key":"10.1016\/j.ejpb.2025.114765_b0250","doi-asserted-by":"crossref","first-page":"4889","DOI":"10.1007\/s10973-021-10958-1","article-title":"Thermodynamic properties of hydroxypropyl-\u03b2-cyclodextrin\/guest interaction: a survey of recent studies","volume":"147","author":"D\u2019Aria","year":"2022","journal-title":"J. Therm. Anal. Calorim."},{"key":"10.1016\/j.ejpb.2025.114765_b0255","doi-asserted-by":"crossref","first-page":"309","DOI":"10.1016\/j.ymgme.2022.10.004","volume":"137","author":"Hastings","year":"2022","journal-title":"Mol. Genet. Metab."}],"container-title":["European Journal of Pharmaceutics and Biopharmaceutics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0939641125001420?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0939641125001420?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,7,31]],"date-time":"2025-07-31T15:12:34Z","timestamp":1753974754000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0939641125001420"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,9]]},"references-count":51,"alternative-id":["S0939641125001420"],"URL":"https:\/\/doi.org\/10.1016\/j.ejpb.2025.114765","relation":{},"ISSN":["0939-6411"],"issn-type":[{"type":"print","value":"0939-6411"}],"subject":[],"published":{"date-parts":[[2025,9]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"2-Hydroxypropyl-\u03b2-cyclodextrin, solubiliser in a novel dantrolene formulation: Its binding affinities to clinical compounds that may be used during anaesthesia or management of malignant hyperthermia","name":"articletitle","label":"Article Title"},{"value":"European Journal of Pharmaceutics and Biopharmaceutics","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.ejpb.2025.114765","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2025 The Authors. Published by Elsevier B.V.","name":"copyright","label":"Copyright"}],"article-number":"114765"}}