{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,17]],"date-time":"2026-07-17T15:04:24Z","timestamp":1784300664293,"version":"3.55.0"},"reference-count":40,"publisher":"Wiley","issue":"4","license":[{"start":{"date-parts":[[2017,12,26]],"date-time":"2017-12-26T00:00:00Z","timestamp":1514246400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2017,12,26]],"date-time":"2017-12-26T00:00:00Z","timestamp":1514246400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"funder":[{"name":"Department of Biotechnology (DBT), Government of India, under Rapid Grant for Young Investigator (RGYI) scheme","award":["BT\/PR6476\/GBD\/27\/496\/2013, 05\/09\/2013"],"award-info":[{"award-number":["BT\/PR6476\/GBD\/27\/496\/2013, 05\/09\/2013"]}]}],"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                      <jats:italic>Toxoplasma gondii<\/jats:italic>\n                      an obligate intracellular parasite causes toxoplasmosis in homeothermic animals. Host invasion of this parasite is mediated by the formation of Moving Junction (MJ) complex which encompasses a network of microneme and Rhoptry Neck proteins (RONs) 2\/4\/5\/8. Among these proteins, RON4 is the only cytosolic secretory protein that is considered as a crucial member, as it directly facilitates the motility of MJ complex by interacting with host tubulin. It is also prominently localized at the host\u2010pathogen interface during the invasion, thus projecting it as a potential drug target. The structure of RON4 is yet to be crystallized. Hence, in this study, fold recognition and Free Energy Landscape sampling was performed to predict the plausible 3D structure of RON4. Further, its interacting pattern with the reported crystal structure of human tubulin was analyzed using molecular docking. Subsequently, a \u03b2\u2010tubulin based inhibitory peptides were derived based on its interacting interface observed in RON4\u2010\u03b2\u2010tubulin docked complex. Following which, a stepwise validation of these peptides for various physico\u2010chemical properties and its homology with antimicrobial peptides were also screened. The peptide (RT_pep) surpassing all these validation filters was modeled and its stability was analysed by Molecular Dynamics simulation. To validate further, the stable conformation of the RT_pep was docked to RON4. Finally, essential molecular dynamics simulation was conducted to determine the stability and atomic motions of native RON4 and also to decipher its association with \u03b2\u2010tubulin and RT_pep. All these analyses cumulatively suggest the therapeutic potential of RT_pep in targeting toxoplasmosis.\n                    <\/jats:p>\n                  <\/jats:sec>","DOI":"10.1002\/jcb.26480","type":"journal-article","created":{"date-parts":[[2017,11,1]],"date-time":"2017-11-01T09:22:41Z","timestamp":1509528161000},"page":"3236-3246","source":"Crossref","is-referenced-by-count":8,"title":["Design of inhibitory peptide targeting\n                    <i>Toxoplasma gondii<\/i>\n                    RON4\u2010human \u03b2\u2010tubulin interactions by implementing structural bioinformatics methods"],"prefix":"10.1002","volume":"119","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4697-2115","authenticated-orcid":false,"given":"Umashankar","family":"Vetrivel","sequence":"first","affiliation":[{"name":"Centre for Bioinformatics, Kamalnayan Bajaj Institute for Research in Vision and Ophthalmology Vision Research Foundation, Sankara Nethralaya Chennai Tamil Nadu India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hemavathy","family":"Nagarajan","sequence":"additional","affiliation":[{"name":"Centre for Bioinformatics, Kamalnayan Bajaj Institute for Research in Vision and Ophthalmology Vision Research Foundation, Sankara Nethralaya Chennai Tamil Nadu India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Indhuja","family":"Thirumudi","sequence":"additional","affiliation":[{"name":"Centre for Bioinformatics, Kamalnayan Bajaj Institute for Research in Vision and Ophthalmology Vision Research Foundation, Sankara Nethralaya Chennai Tamil Nadu India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2017,12,26]]},"reference":[{"key":"e_1_2_6_2_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1462-5822.2011.01597.x"},{"key":"e_1_2_6_3_1","first-page":"52","article-title":"Insights on drug targeting of toxoplasma gondii host invasion proteins: a review","volume":"8","author":"Indhuja Thirumudi","year":"2015","journal-title":"Asian J Pharm Clin Res"},{"key":"e_1_2_6_4_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.ppat.0010017"},{"key":"e_1_2_6_5_1","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M504158200"},{"key":"e_1_2_6_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbamem.2007.12.014"},{"key":"e_1_2_6_7_1","doi-asserted-by":"publisher","DOI":"10.1128\/EC.00079-10"},{"key":"e_1_2_6_8_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.ppat.1000309"},{"key":"e_1_2_6_9_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.ppat.1004273"},{"key":"e_1_2_6_10_1","doi-asserted-by":"publisher","DOI":"10.1186\/1475-2875-12-356"},{"key":"e_1_2_6_11_1","doi-asserted-by":"publisher","DOI":"10.1017\/S0031182017000968"},{"key":"e_1_2_6_12_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1462-5822.2005.00646.x"},{"key":"e_1_2_6_13_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.pt.2010.02.012"},{"key":"e_1_2_6_14_1","doi-asserted-by":"publisher","DOI":"10.1083\/jcb.201406055"},{"key":"e_1_2_6_15_1","doi-asserted-by":"publisher","DOI":"10.1038\/srep03199"},{"key":"e_1_2_6_16_1","doi-asserted-by":"publisher","DOI":"10.1039\/C5IB00222B"},{"key":"e_1_2_6_17_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules171012276"},{"key":"e_1_2_6_18_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2014.10.003"},{"key":"e_1_2_6_19_1","doi-asserted-by":"publisher","DOI":"10.2174\/138920312800785076"},{"key":"e_1_2_6_20_1","first-page":"59","article-title":"Drug discovery: an appraisal","volume":"7","author":"Umashankar GS","year":"2015","journal-title":"Int J Pharm Pharm Sci"},{"key":"e_1_2_6_21_1","unstructured":"Vetrivel UmashankarSG. 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