{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,13]],"date-time":"2026-05-13T13:23:43Z","timestamp":1778678623885,"version":"3.51.4"},"reference-count":44,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2017,10,1]],"date-time":"2017-10-01T00:00:00Z","timestamp":1506816000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"}],"funder":[{"DOI":"10.13039\/501100004911","name":"FAPEPI","doi-asserted-by":"publisher","award":["008\/2012"],"award-info":[{"award-number":["008\/2012"]}],"id":[{"id":"10.13039\/501100004911","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002322","name":"CAPES Foundation","doi-asserted-by":"publisher","award":["BEX 2883\/15-5"],"award-info":[{"award-number":["BEX 2883\/15-5"]}],"id":[{"id":"10.13039\/501100002322","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001807","name":"FAPESP","doi-asserted-by":"publisher","award":["14\/02282-6"],"award-info":[{"award-number":["14\/02282-6"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001807","name":"FAPESP","doi-asserted-by":"publisher","award":["16\/18023-5"],"award-info":[{"award-number":["16\/18023-5"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","doi-asserted-by":"publisher","award":["IF\/00092\/2014"],"award-info":[{"award-number":["IF\/00092\/2014"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","doi-asserted-by":"publisher","award":["UID\/QUI\/50006\/2013"],"award-info":[{"award-number":["UID\/QUI\/50006\/2013"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","doi-asserted-by":"publisher","award":["SFRH\/BD\/97995\/2013"],"award-info":[{"award-number":["SFRH\/BD\/97995\/2013"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"European Union (FEDER funds through COMPETE) and National Funds (FCT)","doi-asserted-by":"publisher","award":["UID\/QUI\/50006\/2013"],"award-info":[{"award-number":["UID\/QUI\/50006\/2013"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["European Journal of Medicinal Chemistry"],"published-print":{"date-parts":[[2017,10]]},"DOI":"10.1016\/j.ejmech.2017.08.019","type":"journal-article","created":{"date-parts":[[2017,8,7]],"date-time":"2017-08-07T22:45:39Z","timestamp":1502145939000},"page":"401-411","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":7,"special_numbering":"C","title":["Structure-function studies of BPP-BrachyNH2 and synthetic analogues thereof with Angiotensin I-Converting Enzyme"],"prefix":"10.1016","volume":"139","author":[{"given":"Daniel D.R.","family":"Arcanjo","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Andreanne G.","family":"Vasconcelos","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lucas A.","family":"Nascimento","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ana Carolina","family":"Mafud","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alexandra","family":"Pl\u00e1cido","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Michel M.M.","family":"Alves","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Cristina","family":"Delerue-Matos","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Marcelo P.","family":"Bemquerer","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Nuno","family":"Vale","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Paula","family":"Gomes","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Eduardo B.","family":"Oliveira","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Francisco C.A.","family":"Lima","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yvonne P.","family":"Mascarenhas","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Fernando A\u00e9cio A.","family":"Carvalho","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2169-7666","authenticated-orcid":false,"given":"Ulf","family":"Simonsen","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ricardo M.","family":"Ramos","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jos\u00e9 Roberto S.A.","family":"Leite","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"key":"10.1016\/j.ejmech.2017.08.019_bib1","doi-asserted-by":"crossref","first-page":"163","DOI":"10.1111\/j.1476-5381.1965.tb02091.x","article-title":"A\u00a0bradykinin-potentiating factor (BPF) present in the venom of Bothrops jararaca","volume":"24","author":"Ferreira","year":"1965","journal-title":"Br. J. Pharmacol. Chemother."},{"key":"10.1016\/j.ejmech.2017.08.019_bib2","doi-asserted-by":"crossref","first-page":"516","DOI":"10.1016\/j.toxicon.2011.07.013","article-title":"Bradykinin-potentiating peptides: beyond captopril","volume":"59","author":"Camargo","year":"2012","journal-title":"Toxicon"},{"key":"10.1016\/j.ejmech.2017.08.019_bib3","doi-asserted-by":"crossref","first-page":"124","DOI":"10.1016\/j.peptides.2013.07.016","article-title":"Proline rich-oligopeptides: diverse mechanisms for antihypertensive action","volume":"48","author":"Morais","year":"2013","journal-title":"Peptides"},{"key":"10.1016\/j.ejmech.2017.08.019_bib4","series-title":"Handb. Biol. Act. Pept","first-page":"291","article-title":"Bradykinin-related peptides from frog skin","author":"Conlon","year":"2006"},{"key":"10.1016\/j.ejmech.2017.08.019_bib5","doi-asserted-by":"crossref","first-page":"769","DOI":"10.1016\/S1357-2725(02)00309-6","article-title":"The angiotensin converting enzyme (ACE)","volume":"35","author":"Coates","year":"2003","journal-title":"Int. J. Biochem. Cell Biol."},{"key":"10.1016\/j.ejmech.2017.08.019_bib6","doi-asserted-by":"crossref","first-page":"172","DOI":"10.1590\/S0066-782X2008001500006","article-title":"Enzima conversora de angiotensina no l\u00edquido peric\u00e1rdico: estudo comparativo com a atividade s\u00e9rica","volume":"91","author":"Gomes","year":"2008","journal-title":"Arq. Bras. Cardiol."},{"key":"10.1016\/j.ejmech.2017.08.019_bib7","doi-asserted-by":"crossref","first-page":"8519","DOI":"10.1021\/bi9928905","article-title":"Peptidase specificity characterization of C- and N-terminal catalytic sites of angiotensin I-converting enzyme","volume":"39","author":"Araujo","year":"2000","journal-title":"Biochemistry"},{"key":"10.1016\/j.ejmech.2017.08.019_bib8","doi-asserted-by":"crossref","first-page":"157","DOI":"10.1016\/S0006-291X(67)80055-X","article-title":"On the size of the active site in proteases. I. Papain","volume":"27","author":"Schechter","year":"1967","journal-title":"Biochem. Biophys. Res. Commun."},{"key":"10.1016\/j.ejmech.2017.08.019_bib9","doi-asserted-by":"crossref","first-page":"e0145071","DOI":"10.1371\/journal.pone.0145071","article-title":"A\u00a0novel vasoactive proline-rich oligopeptide from the skin secretion of the frog Brachycephalus ephippium","volume":"10","author":"Arcanjo","year":"2015","journal-title":"PLoS One"},{"key":"10.1016\/j.ejmech.2017.08.019_bib10","doi-asserted-by":"crossref","first-page":"1110","DOI":"10.1038\/13423","article-title":"Design of angiotensin converting enzyme inhibitors","volume":"5","author":"Cushman","year":"1999","journal-title":"Nat. Med."},{"key":"10.1016\/j.ejmech.2017.08.019_bib11","doi-asserted-by":"crossref","first-page":"790","DOI":"10.1038\/nrd1197","article-title":"Therapeutic potential of venom peptides","volume":"2","author":"Lewis","year":"2003","journal-title":"Nat. Rev. Drug Discov."},{"key":"10.1016\/j.ejmech.2017.08.019_bib12","doi-asserted-by":"crossref","first-page":"161","DOI":"10.1111\/j.1399-3011.1990.tb00939.x","article-title":"Solid phase peptide synthesis utilizing 9-fluorenylmethoxycarbonyl amino acids","volume":"35","author":"Fields","year":"1990","journal-title":"Int. J. Pept. Protein Res."},{"key":"10.1016\/j.ejmech.2017.08.019_bib13","series-title":"Gaussian 09, Revision A.02","author":"Frisch","year":"2016"},{"key":"10.1016\/j.ejmech.2017.08.019_bib14","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1007\/BF00128336","article-title":"MOPAC: a semiempirical molecular orbital program","volume":"4","author":"Stewart","year":"1990","journal-title":"J.\u00a0Comput. Aided. Mol. Des."},{"key":"10.1016\/j.ejmech.2017.08.019_bib15","doi-asserted-by":"crossref","first-page":"1355","DOI":"10.1107\/S0907444904011679","article-title":"PRODRG: a tool for high-throughput crystallography of protein\u2013ligand complexes","volume":"60","author":"Sch\u00fcttelkopf","year":"2004","journal-title":"Acta Crystallogr. Sect. D. Biol. Crystallogr."},{"key":"10.1016\/j.ejmech.2017.08.019_bib16","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1002\/(SICI)1099-1352(199601)9:1<1::AID-JMR241>3.0.CO;2-6","article-title":"Automated docking of flexible ligands: applications of autodock","volume":"9","author":"Goodsell","year":"1996","journal-title":"J.\u00a0Mol. Recognit."},{"key":"10.1016\/j.ejmech.2017.08.019_bib17","series-title":"Protein-protein Interact. A Mol. Cloning Man","first-page":"885","article-title":"Computational docking of biomolecular complexes with AutoDock","author":"Goodsell","year":"2005"},{"key":"10.1016\/j.ejmech.2017.08.019_bib18","series-title":"Curr. Protoc. Bioinforma","article-title":"Using AutoDock for ligand-receptor docking","author":"Morris","year":"2008"},{"key":"10.1016\/j.ejmech.2017.08.019_bib19","first-page":"57","article-title":"Python: a programming language for software integration and development","volume":"17","author":"Sanner","year":"1999","journal-title":"J.\u00a0Mol. Graph. Model"},{"key":"10.1016\/j.ejmech.2017.08.019_bib20","doi-asserted-by":"crossref","first-page":"3219","DOI":"10.1016\/0040-4020(80)80168-2","article-title":"Iterative partial equalization of orbital electronegativity\u2014a rapid access to atomic charges","volume":"36","author":"Gasteiger","year":"1980","journal-title":"Tetrahedron"},{"key":"10.1016\/j.ejmech.2017.08.019_bib21","doi-asserted-by":"crossref","first-page":"1639","DOI":"10.1002\/(SICI)1096-987X(19981115)19:14<1639::AID-JCC10>3.0.CO;2-B","article-title":"Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function","volume":"19","author":"Morris","year":"1998","journal-title":"J.\u00a0Comput. Chem."},{"key":"10.1016\/j.ejmech.2017.08.019_bib22","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1287\/moor.6.1.19","article-title":"Minimization by random search techniques","volume":"6","author":"Solis","year":"1981","journal-title":"Math. Oper. Res."},{"key":"10.1016\/j.ejmech.2017.08.019_bib23","doi-asserted-by":"crossref","first-page":"1656","DOI":"10.1002\/jcc.20090","article-title":"A\u00a0biomolecular 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.\u00a0Comput. Chem."},{"key":"10.1016\/j.ejmech.2017.08.019_bib24","series-title":"GROMACS User Manual","author":"van der Spoel","year":"2014"},{"key":"10.1016\/j.ejmech.2017.08.019_bib25","series-title":"Interaction Models for Water in Relation to Protein Hydration","first-page":"331","author":"Berendsen","year":"1981"},{"key":"10.1016\/j.ejmech.2017.08.019_bib26","doi-asserted-by":"crossref","first-page":"1055","DOI":"10.1080\/00268978300102851","article-title":"Constant pressure molecular dynamics for molecular systems","volume":"50","author":"Nos\u00e9","year":"1983","journal-title":"Mol. Phys."},{"key":"10.1016\/j.ejmech.2017.08.019_bib27","doi-asserted-by":"crossref","first-page":"7182","DOI":"10.1063\/1.328693","article-title":"Polymorphic transitions in single crystals: a new molecular dynamics method","volume":"52","author":"Parrinello","year":"1981","journal-title":"J.\u00a0Appl. Phys."},{"key":"10.1016\/j.ejmech.2017.08.019_bib28","doi-asserted-by":"crossref","first-page":"1463","DOI":"10.1002\/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H","article-title":"LINCS: a linear constraint solver for molecular simulations","volume":"18","author":"Hess","year":"1997","journal-title":"J.\u00a0Comput. Chem."},{"key":"10.1016\/j.ejmech.2017.08.019_bib29","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.\u00a0Chem. Phys."},{"key":"10.1016\/j.ejmech.2017.08.019_bib30","doi-asserted-by":"crossref","first-page":"2778","DOI":"10.1021\/ci200227u","article-title":"LigPlot+: multiple ligand\u2013protein interaction diagrams for drug discovery","volume":"51","author":"Laskowski","year":"2011","journal-title":"J.\u00a0Chem. Inf. Model"},{"key":"10.1016\/j.ejmech.2017.08.019_bib31","doi-asserted-by":"crossref","first-page":"4013","DOI":"10.1007\/s00894-012-1383-6","article-title":"Interaction of wild type, G68R and L125M isoforms of the arylamine-N-acetyltransferase from Mycobacterium tuberculosis with isoniazid: a computational study on a new possible mechanism of resistance","volume":"18","author":"Ramos","year":"2012","journal-title":"J.\u00a0Mol. Model"},{"key":"10.1016\/j.ejmech.2017.08.019_bib32","doi-asserted-by":"crossref","first-page":"1951","DOI":"10.1021\/ci500020m","article-title":"g_mmpbsa \u2014a GROMACS tool for high-throughput MM-PBSA calculations","volume":"54","author":"Kumari","year":"2014","journal-title":"J.\u00a0Chem. Inf. Model"},{"key":"10.1016\/j.ejmech.2017.08.019_bib33","doi-asserted-by":"crossref","first-page":"10037","DOI":"10.1073\/pnas.181342398","article-title":"Electrostatics of nanosystems: application to microtubules and the ribosome","volume":"98","author":"Baker","year":"2001","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"10.1016\/j.ejmech.2017.08.019_bib34","doi-asserted-by":"crossref","first-page":"167","DOI":"10.1023\/B:JCAM.0000035186.90683.f2","article-title":"VEGA\u2013an open platform to develop chemo-bio-informatics applications, using plug-in architecture and script programming","volume":"18","author":"Pedretti","year":"2004","journal-title":"J.\u00a0Comput. Aided. Mol. Des."},{"key":"10.1016\/j.ejmech.2017.08.019_bib35","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.\u00a0Med. Chem."},{"key":"10.1016\/j.ejmech.2017.08.019_bib36","doi-asserted-by":"crossref","first-page":"32","DOI":"10.1016\/j.jep.2014.11.024","article-title":"Syzygium cumini (L.) Skeels essential oil and its major constituent \u03b1-pinene exhibit anti-Leishmania activity through immunomodulation in\u00a0vitro","volume":"160","author":"Rodrigues","year":"2015","journal-title":"J.\u00a0Ethnopharmacol."},{"key":"10.1016\/j.ejmech.2017.08.019_bib37","article-title":"In Silico, In\u00a0vitro and in\u00a0vivo toxicological assessment of BPP-BrachyNH2, a vasoactive proline-rich oligopeptide from Brachycephalus ephippium","author":"Arcanjo","year":"2016","journal-title":"Int. J. Pept. Res. Ther."},{"key":"10.1016\/j.ejmech.2017.08.019_bib38","doi-asserted-by":"crossref","first-page":"197","DOI":"10.1016\/j.exppara.2007.07.011","article-title":"Trypanocidal and leishmanicidal activities of different antimicrobial peptides (AMPs) isolated from aquatic animals","volume":"118","author":"L\u00f6fgren","year":"2008","journal-title":"Exp. Parasitol."},{"key":"10.1016\/j.ejmech.2017.08.019_bib39","doi-asserted-by":"crossref","first-page":"1798","DOI":"10.1074\/jbc.M113.512335","article-title":"Molecular and thermodynamic mechanisms of the chloride-dependent human angiotensin-I-converting enzyme (ACE)","volume":"289","author":"Yates","year":"2014","journal-title":"J.\u00a0Biol. Chem."},{"key":"10.1016\/j.ejmech.2017.08.019_bib40","doi-asserted-by":"crossref","first-page":"1605","DOI":"10.1002\/jcc.20084","article-title":"UCSF Chimera\u2014a visualization system for exploratory research and analysis","volume":"25","author":"Pettersen","year":"2004","journal-title":"J.\u00a0Comput. Chem."},{"key":"10.1016\/j.ejmech.2017.08.019_bib41","doi-asserted-by":"crossref","first-page":"219","DOI":"10.1016\/S0006-291X(03)01363-9","article-title":"Structural basis of the lisinopril-binding specificity in N- and C-domains of human somatic ACE","volume":"308","author":"Fernandez","year":"2003","journal-title":"Biochem. Biophys. Res. Commun."},{"key":"10.1016\/j.ejmech.2017.08.019_bib42","doi-asserted-by":"crossref","first-page":"6350","DOI":"10.1039\/b805087b","article-title":"Another role of proline: stabilization interactions in proteins and protein complexes concerning proline and tryptophane","volume":"10","author":"Biedermannova","year":"2008","journal-title":"Phys. Chem. Chem. Phys."},{"key":"10.1016\/j.ejmech.2017.08.019_bib43","doi-asserted-by":"crossref","first-page":"136","DOI":"10.2174\/1573407212666160511150017","article-title":"Synthetic strategies to serine-proline chimeras: an overview","volume":"12","author":"Ammazzalorso","year":"2016","journal-title":"Curr. Bioact. Compd."},{"key":"10.1016\/j.ejmech.2017.08.019_bib44","doi-asserted-by":"crossref","first-page":"732","DOI":"10.1021\/ol203272k","article-title":"The serine-proline turn: a novel hydrogen-bonded template for designing peptidomimetics","volume":"14","author":"Song","year":"2012","journal-title":"Org. Lett."}],"container-title":["European Journal of Medicinal Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0223523417306220?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0223523417306220?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2022,6,26]],"date-time":"2022-06-26T19:30:09Z","timestamp":1656271809000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0223523417306220"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2017,10]]},"references-count":44,"alternative-id":["S0223523417306220"],"URL":"https:\/\/doi.org\/10.1016\/j.ejmech.2017.08.019","relation":{},"ISSN":["0223-5234"],"issn-type":[{"value":"0223-5234","type":"print"}],"subject":[],"published":{"date-parts":[[2017,10]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Structure-function studies of BPP-BrachyNH2 and synthetic analogues thereof with Angiotensin I-Converting Enzyme","name":"articletitle","label":"Article Title"},{"value":"European Journal of Medicinal Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.ejmech.2017.08.019","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2017 Elsevier Masson SAS. All rights reserved.","name":"copyright","label":"Copyright"}]}}