{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,13]],"date-time":"2026-01-13T20:41:58Z","timestamp":1768336918188,"version":"3.49.0"},"reference-count":16,"publisher":"MathDoc\/Centre Mersenne","issue":"9","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"abstract":"<jats:p id=\"spar0005\">\n                    The present study aimed at determining the functional characteristics of anti-neuroexcitation peptide II (ANEPII). The depressant insect toxin ANEPII from the Chinese scorpion\n                    <jats:italic>Buthus martensii<\/jats:italic>\n                    Karsch had an effect on insect sodium channels. Previous studies showed that scorpion depressant toxins induce insect flaccid paralysis upon binding to receptor site-4, so we tried to predict the functional residues involved using computational techniques. In this study, three-dimensional structure modeling of ANEPII and site-4 of the insect sodium channel were carried out by homology modeling, and these models were used as the starting point for nanosecond-duration molecular dynamics simulations. Docking studies of ANEPII in the sodium channel homology model were conducted, and likely ANEPII binding loci were investigated. Based on these analyses, the residues Tyr34, Trp36, Gly39, Leu40, Trp53, Asn58, Gly61 and Gly62 were predicted to interact with sodium channel receptor and to act as functional residues.\n                  <\/jats:p>","DOI":"10.1016\/j.crvi.2010.06.005","type":"journal-article","created":{"date-parts":[[2010,8,26]],"date-time":"2010-08-26T04:18:11Z","timestamp":1282796291000},"page":"637-641","source":"Crossref","is-referenced-by-count":2,"title":["Study of the binding residues between ANEPII and insect sodium channel receptor"],"prefix":"10.5802","volume":"333","author":[{"given":"Yong-Bo","family":"Song","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lin","family":"Ma","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wen-Yao","family":"Yang","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jian","family":"Wang","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mao-Sheng","family":"Cheng","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Chun-Fu","family":"Wu","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jing-Hai","family":"Zhang","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"3842","published-online":{"date-parts":[[2010,8,24]]},"reference":[{"key":"key2025102316334464810_1","doi-asserted-by":"crossref","first-page":"473","DOI":"10.1016\/j.toxicon.2006.11.015","article-title":"The insecticidal potential of scorpion \u03b2-toxins","volume":"49","author":"Gurevitz, M.","year":"2007","unstructured":"[1] Gurevitz, M.; Karbat, I.; Cohen, L.; Ilan, N.; Kahn, R.; Turkov, M.; Stankiewicz, M.; St\u00fchmer, W.; Dong, K.; Gordon, D. The insecticidal potential of scorpion \u03b2-toxins, Toxicon, Volume 49 (2007), pp. 473-489","journal-title":"Toxicon"},{"key":"key2025102316334464810_2","doi-asserted-by":"crossref","first-page":"13","DOI":"10.1016\/S0896-6273(00)81133-2","article-title":"From ionic currents to molecular mechanisms: the structure and function of voltage-gated sodium channels","volume":"26","author":"Catterall, W.A.","year":"2000","unstructured":"[2] Catterall, W.A. From ionic currents to molecular mechanisms: the structure and function of voltage-gated sodium channels, Neuron, Volume 26 (2000), pp. 13-25","journal-title":"Neuron"},{"key":"key2025102316334464810_3","first-page":"919","article-title":"Voltage sensor-trapping\u00a0:enhanced activation of sodium channels by \u03b2-scorpion toxin bound to the S3-S4 loop in domain II","volume":"21","author":"Cest\u00e8le, S.","year":"1998","unstructured":"[3] Cest\u00e8le, S.; Qu, Y.; Rogers, J.C.; Rochat, H.; Scheuer, T.; Catterall, W.A. Voltage sensor-trapping\u00a0:enhanced activation of sodium channels by \u03b2-scorpion toxin bound to the S3-S4 loop in domain II, Neuron, Volume 21 (1998), pp. 919-931","journal-title":"Neuron"},{"key":"key2025102316334464810_4","doi-asserted-by":"crossref","first-page":"21332","DOI":"10.1074\/jbc.M603814200","article-title":"Structure and function of the voltage sensor of sodium channels probed by a beta-scorpion toxin","volume":"281","author":"Cest\u00e8le, S.","year":"2006","unstructured":"[4] Cest\u00e8le, S.; Yarov-Yarovoy, V.; Qu, Y.; Sampieri, F.; Scheuer, T.; Catterall, W.A. Structure and function of the voltage sensor of sodium channels probed by a beta-scorpion toxin, J Biol Chem, Volume 281 (2006), pp. 21332-21344","journal-title":"J Biol Chem"},{"key":"key2025102316334464810_5","unstructured":"[5] Jinghai Z. Partial properties of biochemistry,purification,expression,gene clone of anti-neuroexcitation peptide of the scorpion Buthes Martensii Karsch, Nanjing University, 2000."},{"key":"key2025102316334464810_6","first-page":"85","article-title":"Study on the expression of anti-neuroexcitation peptideII (ANEPII) of Chinese <span class=\"italique\">Buthus martensii<\/span> Karsch in trasgenic tobacco","volume":"14","author":"Yongbo, S.","year":"2007","unstructured":"[6] Yongbo, S.; Yu, S.; Yi, W.; LiLi, L.; Jinghai, Z. Study on the expression of anti-neuroexcitation peptideII (ANEPII) of Chinese Buthus martensii Karsch in trasgenic tobacco, Pharmaceutical Biotechnology, Volume 14 (2007), pp. 85-89","journal-title":"Pharmaceutical Biotechnology"},{"key":"key2025102316334464810_7","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1038\/nature01580","article-title":"X-ray structure of a voltage-dependent K<sup>+<\/sup> channel","volume":"423","author":"Jiang, Y.","year":"2003","unstructured":"[7] Jiang, Y.; Lee, A.; Chen, J.; Ruta, V.; Cadene, M.; Chait, B.T.; MacKinnon, R. 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GROMACS3.0:a package for molecular simulation and trajectory analysis, J Mol Mode, Volume 7 (2001), pp. 306-317","journal-title":"J Mol Mode"},{"key":"key2025102316334464810_10","doi-asserted-by":"crossref","first-page":"477","DOI":"10.1007\/BF00228148","article-title":"AQUA and PROCHECK-NMR: programs for checking the quality of protein structures solved by NMR","volume":"8","author":"Laskowski, R.A.","year":"1996","unstructured":"[10] Laskowski, R.A.; Rullmannn, J.A.; MacArthur, M.W.; Kaptein, R.; Thornton, J.M. AQUA and PROCHECK-NMR: programs for checking the quality of protein structures solved by NMR, J Biomol NMR, Volume 8 (1996), pp. 477-486","journal-title":"J Biomol NMR"},{"key":"key2025102316334464810_11","doi-asserted-by":"crossref","first-page":"80","DOI":"10.1002\/prot.10389","article-title":"ZDOCK: An Initial-stage Protein-Docking Algorithm","volume":"52","author":"Chen, R.","year":"2003","unstructured":"[11] Chen, R.; Li, L.; Weng, Z. ZDOCK: An Initial-stage Protein-Docking Algorithm, Proteins, Volume 52 (2003), pp. 80-87","journal-title":"Proteins"},{"key":"key2025102316334464810_12","doi-asserted-by":"crossref","first-page":"397","DOI":"10.1002\/prot.10334","article-title":"A novel shape complementarity scoring function for protein-protein docking","volume":"51","author":"Chen, R.","year":"2003","unstructured":"[12] Chen, R.; Weng, R. A novel shape complementarity scoring function for protein-protein docking, Proteins, Volume 51 (2003), pp. 397-408","journal-title":"Proteins"},{"key":"key2025102316334464810_13","doi-asserted-by":"crossref","first-page":"586","DOI":"10.1016\/j.jmb.2006.10.085","article-title":"X-ray structure and mutagenesis of the scorpion depressant toxin LqhIT2 reveals key determinants crucial for activity and anti-insect selectivity","volume":"366","author":"Karbat, I.","year":"2006","unstructured":"[13] Karbat, I.; Turkov, M.; Cohen, L.; Kahn, R.; Gordon, D.; Gurevitz, M.; Frolow, F. X-ray structure and mutagenesis of the scorpion depressant toxin LqhIT2 reveals key determinants crucial for activity and anti-insect selectivity, J Mol Biol, Volume 366 (2006), pp. 586-601","journal-title":"J Mol Biol"},{"key":"key2025102316334464810_14","doi-asserted-by":"crossref","first-page":"883","DOI":"10.1016\/S0300-9084(00)01174-3","article-title":"Molecular mechanisms of neurotoxin action on voltage-gated sodium channels","volume":"82","author":"Cestele, S.","year":"2000","unstructured":"[14] Cestele, S.; Catterall, W.A. 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Positively selected sites of scorpion depressant toxins:possible roles in toxin functional divergence, Toxicon, Volume 51 (2008), pp. 555-562","journal-title":"Toxicon"}],"container-title":["Comptes Rendus. Biologies"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/comptes-rendus.academie-sciences.fr\/biologies\/item\/10.1016\/j.crvi.2010.06.005.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,23]],"date-time":"2025-10-23T14:43:43Z","timestamp":1761230623000},"score":1,"resource":{"primary":{"URL":"https:\/\/comptes-rendus.academie-sciences.fr\/biologies\/articles\/10.1016\/j.crvi.2010.06.005\/"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2010,8,24]]},"references-count":16,"journal-issue":{"issue":"9","published-online":{"date-parts":[[2010]]}},"alternative-id":["10.1016\/j.crvi.2010.06.005"],"URL":"https:\/\/doi.org\/10.1016\/j.crvi.2010.06.005","relation":{},"ISSN":["1631-0691","1768-3238"],"issn-type":[{"value":"1631-0691","type":"print"},{"value":"1768-3238","type":"electronic"}],"subject":[],"published":{"date-parts":[[2010,8,24]]}}}