{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,11]],"date-time":"2026-03-11T10:14:28Z","timestamp":1773224068563,"version":"3.50.1"},"reference-count":44,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2025,12,1]],"date-time":"2025-12-01T00:00:00Z","timestamp":1764547200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2025,12,1]],"date-time":"2025-12-01T00:00:00Z","timestamp":1764547200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2025,12,1]],"date-time":"2025-12-01T00:00:00Z","timestamp":1764547200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2025,12,1]],"date-time":"2025-12-01T00:00:00Z","timestamp":1764547200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,12,1]],"date-time":"2025-12-01T00:00:00Z","timestamp":1764547200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2025,12,1]],"date-time":"2025-12-01T00:00:00Z","timestamp":1764547200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,12,1]],"date-time":"2025-12-01T00:00:00Z","timestamp":1764547200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100006181","name":"Foundation for Research Support of Bahia State","doi-asserted-by":"publisher","award":["BOL0752"],"award-info":[{"award-number":["BOL0752"]}],"id":[{"id":"10.13039\/501100006181","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Veterinary Parasitology"],"published-print":{"date-parts":[[2025,12]]},"DOI":"10.1016\/j.vetpar.2025.110628","type":"journal-article","created":{"date-parts":[[2025,10,7]],"date-time":"2025-10-07T00:12:02Z","timestamp":1759795922000},"page":"110628","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":0,"special_numbering":"C","title":["In vitro and in silico studies of GST-inhibitory and larvicidal activities of alkaloids against Rhipicephalus microplus"],"prefix":"10.1016","volume":"340","author":[{"given":"Amanda Ponce Morais","family":"Cerqueira","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0009-0001-2415-0850","authenticated-orcid":false,"given":"Matheus","family":"da Cunha Santos","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Gabriel Lima Soares","family":"Rezende","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Manoelito Coelho","family":"dos Santos Junior","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6404-0314","authenticated-orcid":false,"given":"Mariana Borges","family":"Botura","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"issue":"W1","key":"10.1016\/j.vetpar.2025.110628_bib1","doi-asserted-by":"crossref","first-page":"W530","DOI":"10.1093\/nar\/gkab294","article-title":"PLIP 2021: expanding the scope of the protein\u2013ligand interaction profiler to DNA and RNA","volume":"49","author":"Adasme","year":"2021","journal-title":"Nucleic Acids Res"},{"key":"10.1016\/j.vetpar.2025.110628_bib2","article-title":"in silico investigation and experimental validation of pistagremic acid isolated from pistacia integerrima against Rhipicephalus microplus and Sarcoptes scabiei","volume":"v. 8","author":"Ahmad","year":"2025","journal-title":"Curr. Res Parasitol."},{"issue":"12","key":"10.1016\/j.vetpar.2025.110628_bib3","doi-asserted-by":"crossref","first-page":"980","DOI":"10.1038\/nsb1203-980","article-title":"Announcing the worldwide protein data bank","volume":"10","author":"Berman","year":"2003","journal-title":"Nat. Struct. Mol. Biol."},{"key":"10.1016\/j.vetpar.2025.110628_bib4","doi-asserted-by":"crossref","DOI":"10.1016\/j.exppara.2022.108398","article-title":"Anonaine from annona crassiflora inhibits glutathione S-transferase and improves cypermethrin activity on Rhipicephalus (Boophilus) microplus (Canestrini, 1887)","volume":"243","author":"Bezerra","year":"2022","journal-title":"Exp. Parasitol."},{"issue":"9","key":"10.1016\/j.vetpar.2025.110628_bib5","doi-asserted-by":"crossref","first-page":"912","DOI":"10.2174\/0115734064298481240517072216","article-title":"in silico and in vitro assessment of dimeric flavonoids (brachydins) on Rhipicephalus microplus glutathione S-transferase","volume":"20","author":"Bezerra","year":"2024","journal-title":"Med. Chem."},{"key":"10.1016\/j.vetpar.2025.110628_bib6","doi-asserted-by":"crossref","first-page":"164","DOI":"10.1126\/science.1853201","article-title":"A method to identify protein sequences that fold into a known three-dimensional structure","volume":"253","author":"Bowie","year":"1991","journal-title":"Science"},{"key":"10.1016\/j.vetpar.2025.110628_bib7","doi-asserted-by":"crossref","DOI":"10.1016\/j.agsy.2021.103247","article-title":"Bioeconomic simulation of rhipicephalus microplus infestation in different beef cattle production systems in the Brazilian Cerrado","volume":"194","author":"Calvano","year":"2021","journal-title":"Agric. Syst."},{"key":"10.1016\/j.vetpar.2025.110628_bib8","first-page":"1","article-title":"Molecular targets for the development of new acaricides against Rhipicephalus microplus: a review","author":"Cerqueira","year":"2022","journal-title":"Parasitology"},{"issue":"9","key":"10.1016\/j.vetpar.2025.110628_bib9","doi-asserted-by":"crossref","first-page":"1397","DOI":"10.1089\/cmb.2019.0323","article-title":"Analysis of the physicochemical properties of acaricides based on Lipinski\u2019s rule of five","volume":"27","author":"Chen","year":"2020","journal-title":"J. Comput. Biol."},{"issue":"19","key":"10.1016\/j.vetpar.2025.110628_bib10","doi-asserted-by":"crossref","first-page":"2184","DOI":"10.2174\/138161209788682479","article-title":"Drug-like property concepts in pharmaceutical design","volume":"15","author":"Di","year":"2009","journal-title":"Curr. Pharm. Des."},{"key":"10.1016\/j.vetpar.2025.110628_bib11","doi-asserted-by":"crossref","first-page":"41","DOI":"10.1016\/j.tetlet.2019.151135","article-title":"Thalicfoetine, a novel isoquinoline alkaloid with antibacterial activity from Thalictrum foetidum","volume":"60","author":"Ding","year":"2019","journal-title":"Tetrahedron Lett."},{"issue":"1","key":"10.1016\/j.vetpar.2025.110628_bib12","doi-asserted-by":"crossref","first-page":"159","DOI":"10.1007\/s10493-015-9890-7","article-title":"Identification of potential plant extracts for antitick activity against acaricide resistant cattle ticks, Rhipicephalus (Boophilus) microplus (Acari: Ixodidae)","volume":"66","author":"Ghosh","year":"2015","journal-title":"Exp. Appl. Acarol."},{"issue":"22","key":"10.1016\/j.vetpar.2025.110628_bib13","doi-asserted-by":"crossref","first-page":"7130","DOI":"10.1016\/S0021-9258(19)42083-8","article-title":"Glutathione S-transferase: the first enzymatic step in mercapturic acid synthesis","volume":"249","author":"Habig","year":"1974","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.vetpar.2025.110628_bib14","doi-asserted-by":"crossref","DOI":"10.1016\/j.ejps.2021.105840","article-title":"Combining species specific in vitro & in silico models to predict in vivo food effect in a preclinical stage - case study of Venetoclax","volume":"162","author":"Henze","year":"2021","journal-title":"Eur. J. Pharm. Sci."},{"issue":"1","key":"10.1016\/j.vetpar.2025.110628_bib15","doi-asserted-by":"crossref","first-page":"112","DOI":"10.1002\/pro.3280","article-title":"Improvements to the APBS biomolecular solvation software suite","volume":"27","author":"Jurrus","year":"2018","journal-title":"Protein Sci."},{"issue":"1","key":"10.1016\/j.vetpar.2025.110628_bib16","doi-asserted-by":"crossref","first-page":"73","DOI":"10.1016\/j.ttbdis.2016.09.019","article-title":"Multiple resistance to acaricides in field populations of rhipicephalus microplus from Rio Grande do sul state, Southern Brazil","volume":"8","author":"Klafke","year":"2017","journal-title":"Ticks Tick. Borne Dis."},{"key":"10.1016\/j.vetpar.2025.110628_bib17","article-title":"Menace of acaricide resistance in cattle tick, Rhipicephalus microplus in India: status and possible mitigation strategies","volume":"278","author":"Kumar","year":"2019","journal-title":"Vet. Parasitol."},{"key":"10.1016\/j.vetpar.2025.110628_bib18","doi-asserted-by":"crossref","DOI":"10.1016\/j.ttbdis.2021.101818","article-title":"Characterization of deltamethrin, cypermethrin, coumaphos and ivermectin resistance in populations of rhipicephalus microplus in India and efficacy of an antitick natural formulation prepared from Ageratum conyzoides","volume":"12","author":"Kumar","year":"2021","journal-title":"Ticks Tick. Borne Dis."},{"issue":"2","key":"10.1016\/j.vetpar.2025.110628_bib19","doi-asserted-by":"crossref","first-page":"269","DOI":"10.1016\/0022-2836(82)90153-X","article-title":"A geometric approach to macromolecule-ligand interactions","volume":"161","author":"Kuntz","year":"1982","journal-title":"J. Mol. Biol."},{"key":"10.1016\/j.vetpar.2025.110628_bib20","doi-asserted-by":"crossref","first-page":"1219","DOI":"10.1261\/rna.1563609","article-title":"DOCK 6: combining techniques to model RNA\u2013small molecule complexes","volume":"15","author":"Lang","year":"2009","journal-title":"RNA"},{"issue":"1","key":"10.1016\/j.vetpar.2025.110628_bib21","doi-asserted-by":"crossref","first-page":"129","DOI":"10.1002\/pro.3289","article-title":"PDBsum: structural summaries of PDB entries","volume":"27","author":"Laskowski","year":"2018","journal-title":"Protein Sci."},{"issue":"2","key":"10.1016\/j.vetpar.2025.110628_bib22","doi-asserted-by":"crossref","first-page":"283","DOI":"10.1107\/S0021889892009944","article-title":"PROCHECK: a program to check the stereochemical quality of protein structures","volume":"26","author":"Laskowski","year":"1993","journal-title":"J. Appl. Crystallogr"},{"key":"10.1016\/j.vetpar.2025.110628_bib23","doi-asserted-by":"crossref","DOI":"10.1038\/s41598-018-30907-7","article-title":"Detoxification mechanisms involved in ivermectin resistance in the cattle tick, rhipicephalus (boophilus) microplus","volume":"8","author":"Le Gall","year":"2018","journal-title":"Sci. Rep."},{"key":"10.1016\/j.vetpar.2025.110628_bib24","unstructured":"Lindahl, E., Abraham, M.J., Hess, B., Van Der Spoel, D., 2020. GROMACS 2020.1 Source code (2020.1). Zenodo. \u3008https:\/\/doi.org\/10.5281\/zenodo.3685919\u3009."},{"key":"10.1016\/j.vetpar.2025.110628_bib25","doi-asserted-by":"crossref","DOI":"10.1016\/j.phytochem.2024.114147","article-title":"Structurally diverse alkaloids from the Buxus sinica and their cytotoxicity","volume":"224","author":"Lin","year":"2024","journal-title":"Phytochemistry"},{"issue":"6364","key":"10.1016\/j.vetpar.2025.110628_bib26","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1038\/356083a0","article-title":"Assessment of protein models with threedimensional profiles","volume":"356","author":"L\u00fcthy","year":"1992","journal-title":"Nature"},{"key":"10.1016\/j.vetpar.2025.110628_bib27","doi-asserted-by":"crossref","first-page":"642","DOI":"10.1016\/j.indcrop.2013.11.029","article-title":"Isolation and insecticidal activity of sesquiterpenes alkaloids from Tripterygium wilfordii Hook f","volume":"52","author":"Ma","year":"2014","journal-title":"Ind. Crops Prod."},{"issue":"W1","key":"10.1016\/j.vetpar.2025.110628_bib28","doi-asserted-by":"crossref","first-page":"W276","DOI":"10.1093\/nar\/gkac240","article-title":"Search and sequence analysis tools services from EMBL-EBI in 2022","volume":"50","author":"Madeira","year":"2022","journal-title":"Nucleic Acids Res"},{"issue":"1","key":"10.1016\/j.vetpar.2025.110628_bib29","doi-asserted-by":"crossref","first-page":"207","DOI":"10.1006\/jmbi.1996.0868","article-title":"Novel knowledge-based mean force potential at atomic level","volume":"267","author":"Melo","year":"1997","journal-title":"J. Mol. Biol."},{"key":"10.1016\/j.vetpar.2025.110628_bib30","doi-asserted-by":"crossref","first-page":"505","DOI":"10.1002\/jcc.540130412","article-title":"Automated docking with grid-based energy evaluation","volume":"13","author":"Meng","year":"1992","journal-title":"J. Comput. Chem."},{"issue":"3","key":"10.1016\/j.vetpar.2025.110628_bib31","doi-asserted-by":"crossref","first-page":"480","DOI":"10.2174\/1570180819666220922103109","article-title":"Molecular docking: principles, advances, and its applications in drug discovery","volume":"21","author":"Muhammed","year":"2024","journal-title":"Lett. Drug Des. Discov."},{"issue":"13","key":"10.1016\/j.vetpar.2025.110628_bib32","doi-asserted-by":"crossref","first-page":"1656","DOI":"10.1002\/jcc.20090","article-title":"A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6","volume":"25","author":"Oostenbrink","year":"2004","journal-title":"J. Comput. Chem."},{"issue":"13","key":"10.1016\/j.vetpar.2025.110628_bib33","doi-asserted-by":"crossref","first-page":"1605","DOI":"10.1002\/jcc.20084","article-title":"UCSF chimera - a visualization system for exploratory research and analysis","volume":"25","author":"Pettersen","year":"2004","journal-title":"J. Comput. Chem."},{"issue":"9","key":"10.1016\/j.vetpar.2025.110628_bib34","doi-asserted-by":"crossref","first-page":"4066","DOI":"10.1021\/acs.jmedchem.5b00104","article-title":"pkCSM: predicting small-molecule pharmacokinetic and toxicity properties using graph-based signatures","volume":"58","author":"Pires","year":"2015","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.vetpar.2025.110628_bib35","doi-asserted-by":"crossref","first-page":"95","DOI":"10.1016\/S0022-2836(63)80023-6","article-title":"Stereochemistry of polypeptide chain configurations","volume":"7","author":"Ramachandran","year":"1963","journal-title":"J. Mol. Biol."},{"issue":"D1","key":"10.1016\/j.vetpar.2025.110628_bib36","doi-asserted-by":"crossref","first-page":"D20","DOI":"10.1093\/nar\/gkab1112","article-title":"Database resources of The National center for biotechnology information","volume":"50","author":"Sayers","year":"2022","journal-title":"Nucleic Acids Res"},{"issue":"8","key":"10.1016\/j.vetpar.2025.110628_bib37","doi-asserted-by":"crossref","first-page":"1355","DOI":"10.1107\/S0907444904011679","article-title":"PRODRG - a tool for high-throughput crystallography of protein-ligand complexes","volume":"60","author":"Sch\u00fcttelkopf","year":"2004","journal-title":"Acta Crystallogr. D."},{"issue":"2","key":"10.1016\/j.vetpar.2025.110628_bib38","doi-asserted-by":"crossref","DOI":"10.1016\/j.ttbdis.2020.101643","article-title":"in vitro and in silico studies of the larvicidal and anticholinesterase activities of berberine and piperine alkaloids on Rhipicephalus microplus","volume":"12","author":"Silva","year":"2021","journal-title":"Ticks Tick. Borne Dis."},{"issue":"3-4","key":"10.1016\/j.vetpar.2025.110628_bib39","doi-asserted-by":"crossref","first-page":"362","DOI":"10.1016\/j.vetpar.2012.03.021","article-title":"Syringe test (modified larval immersion test): a new bioassay for testing acaricidal activity of plant extracts against Rhipicephalus microplus","volume":"188","author":"Sindhu","year":"2012","journal-title":"Vet. Parasitol."},{"issue":"4","key":"10.1016\/j.vetpar.2025.110628_bib40","doi-asserted-by":"crossref","first-page":"1389","DOI":"10.1007\/s00436-014-3779-y","article-title":"Effect of ethanolic extract of Capsicum frutescens L. on adult female of Rhipicephalus microplus (Ixodidae)","volume":"113","author":"Vasconcelos","year":"2014","journal-title":"Parasitol. Res."},{"key":"10.1016\/j.vetpar.2025.110628_bib41","first-page":"1","article-title":"Two new alkaloids from Portulaca oleracea L. and their anti-inflammatory and anticholinesterase activities","author":"Wang","year":"2024","journal-title":"Nat. Prod. Res."},{"issue":"W1","key":"10.1016\/j.vetpar.2025.110628_bib42","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":"6","key":"10.1016\/j.vetpar.2025.110628_bib43","doi-asserted-by":"crossref","first-page":"116","DOI":"10.1021\/ed083p851","article-title":"Molecular modeling: basic principles and applications, second edition","volume":"83","author":"Whitehead","year":"2006","journal-title":"J. Chem. Educ."},{"key":"10.1016\/j.vetpar.2025.110628_bib44","series-title":"\u200e","article-title":"Techniques to Detect Insecticide Resistance Mechanisms (\u200eField and Laboratory Manual)","author":"WHO","year":"1998"}],"container-title":["Veterinary Parasitology"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0304401725002390?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0304401725002390?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,3,10]],"date-time":"2026-03-10T13:17:24Z","timestamp":1773148644000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0304401725002390"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,12]]},"references-count":44,"alternative-id":["S0304401725002390"],"URL":"https:\/\/doi.org\/10.1016\/j.vetpar.2025.110628","relation":{},"ISSN":["0304-4017"],"issn-type":[{"value":"0304-4017","type":"print"}],"subject":[],"published":{"date-parts":[[2025,12]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"In vitro and in silico studies of GST-inhibitory and larvicidal activities of alkaloids against Rhipicephalus microplus","name":"articletitle","label":"Article Title"},{"value":"Veterinary Parasitology","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.vetpar.2025.110628","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2025 Elsevier B.V. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"110628"}}