{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,17]],"date-time":"2026-07-17T15:04:21Z","timestamp":1784300661173,"version":"3.55.0"},"reference-count":48,"publisher":"Wiley","issue":"4","license":[{"start":{"date-parts":[[2018,1,5]],"date-time":"2018-01-05T00:00:00Z","timestamp":1515110400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2018,1,5]],"date-time":"2018-01-05T00:00:00Z","timestamp":1515110400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J of Cellular Biochemistry"],"published-print":{"date-parts":[[2018,4]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:sec>\n                    <jats:label\/>\n                    <jats:p>\n                      Profilin is one of the actin\u2010binding proteins that regulate dynamics of actin polymerization. It plays a key role in cell motility and invasion. It also interacts with several other proteins notably through its poly\u2010L\u2010proline (PLP) binding site. Profilin in apicomplexa is characterized by a unique mini\u2010domain consisting of a large \u03b2\u2010hairpin extension and an acidic loop which is relatively longer in\n                      <jats:italic>Plasmodium<\/jats:italic>\n                      species. Profilin is essential for the invasive blood stages of\n                      <jats:italic>Plasmodium falciparum<\/jats:italic>\n                      . In the current study, unbound profilins from\n                      <jats:italic>Plasmodium falciparum<\/jats:italic>\n                      (\n                      <jats:italic>Pf<\/jats:italic>\n                      ),\n                      <jats:italic>Toxoplasma gondii<\/jats:italic>\n                      (\n                      <jats:italic>Tg<\/jats:italic>\n                      ), and\n                      <jats:italic>Homo sapiens<\/jats:italic>\n                      (\n                      <jats:italic>Hs<\/jats:italic>\n                      ) were subjected to molecular dynamics (MD) simulations for a timeframe of 100\u2009ns each to understand the conformational dynamics of these proteins. It was found that the \u03b2\u2010hairpin of profilins from\n                      <jats:italic>Pf<\/jats:italic>\n                      and\n                      <jats:italic>Tg<\/jats:italic>\n                      shows a hinge\u2010like movement. This movement in\n                      <jats:italic>Pf<\/jats:italic>\n                      profilin may possibly be driven by the loss of a salt\u2010bridge within profilin. The impact of this conformational change on actin binding was assessed by docking three dimensional (3D) structures of profilin from\n                      <jats:italic>Pf<\/jats:italic>\n                      and\n                      <jats:italic>Tg<\/jats:italic>\n                      with their corresponding actins using ClusPro2.0. The stability of docked\n                      <jats:italic>Pf<\/jats:italic>\n                      profilin\u2010actin complex was assessed through a 50\u2009ns MD simulation. As\n                      <jats:italic>Hs<\/jats:italic>\n                      profilin I does not have the apicomplexa specific mini\u2010domain, MD simulation was performed for this protein and its dynamics was compared to that of profilins from\n                      <jats:italic>Pf<\/jats:italic>\n                      and\n                      <jats:italic>Tg<\/jats:italic>\n                      . Using an immunoinformatics approach, potential epitope regions were predicted for\n                      <jats:italic>Pf<\/jats:italic>\n                      profilin. This has a potential application in the design of vaccines as they mapped to its unique mini\u2010domain.\n                    <\/jats:p>\n                  <\/jats:sec>","DOI":"10.1002\/jcb.26579","type":"journal-article","created":{"date-parts":[[2017,12,13]],"date-time":"2017-12-13T09:26:48Z","timestamp":1513157208000},"page":"3683-3696","source":"Crossref","is-referenced-by-count":5,"title":["Potential role of salt\u2010bridges in the hinge\u2010like movement of apicomplexa specific \u03b2\u2010hairpin of\n                    <i>Plasmodium<\/i>\n                    and\n                    <i>Toxoplasma<\/i>\n                    profilins: A molecular dynamics simulation study"],"prefix":"10.1002","volume":"119","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-6259-804X","authenticated-orcid":false,"given":"Priyadarsini","family":"Kadirvel","sequence":"first","affiliation":[{"name":"Centre for Biotechnology Anna University Chennai India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1311-2709","authenticated-orcid":false,"given":"Sharmila","family":"Anishetty","sequence":"additional","affiliation":[{"name":"Centre for Biotechnology Anna University Chennai India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2018,1,5]]},"reference":[{"key":"e_1_2_7_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chom.2009.05.013"},{"key":"e_1_2_7_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.mib.2009.06.008"},{"key":"e_1_2_7_4_1","doi-asserted-by":"publisher","DOI":"10.1002\/iub.1014"},{"key":"e_1_2_7_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.pt.2003.10.011"},{"key":"e_1_2_7_6_1","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.274.10.6234"},{"key":"e_1_2_7_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.tcb.2004.07.003"},{"key":"e_1_2_7_8_1","doi-asserted-by":"publisher","DOI":"10.1002\/bies.20822"},{"key":"e_1_2_7_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.str.2008.09.008"},{"key":"e_1_2_7_10_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molbiopara.2013.09.006"},{"key":"e_1_2_7_11_1","doi-asserted-by":"publisher","DOI":"10.1107\/S2053230X1500391X"},{"key":"e_1_2_7_12_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2010.09.022"},{"key":"e_1_2_7_13_1","doi-asserted-by":"publisher","DOI":"10.1002\/pro.5560040312"},{"key":"e_1_2_7_14_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1365-313X.2006.02787.x"},{"key":"e_1_2_7_15_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.ppat.1006412"},{"key":"e_1_2_7_16_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.vaccine.2014.01.095"},{"key":"e_1_2_7_17_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/28.1.235"},{"key":"e_1_2_7_18_1","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btt055"},{"key":"e_1_2_7_19_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.1078"},{"key":"e_1_2_7_20_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540130805"},{"key":"e_1_2_7_21_1","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H"},{"key":"e_1_2_7_22_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.470117"},{"key":"e_1_2_7_23_1","unstructured":"DeLanoWL.2002. 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