{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,3]],"date-time":"2026-06-03T11:12:39Z","timestamp":1780485159336,"version":"3.54.1"},"reference-count":43,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2022,7,1]],"date-time":"2022-07-01T00:00:00Z","timestamp":1656633600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2022,7,1]],"date-time":"2022-07-01T00:00:00Z","timestamp":1656633600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2022,7,1]],"date-time":"2022-07-01T00:00:00Z","timestamp":1656633600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2022,7,1]],"date-time":"2022-07-01T00:00:00Z","timestamp":1656633600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2022,7,1]],"date-time":"2022-07-01T00:00:00Z","timestamp":1656633600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2022,7,1]],"date-time":"2022-07-01T00:00:00Z","timestamp":1656633600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2022,7,1]],"date-time":"2022-07-01T00:00:00Z","timestamp":1656633600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["31660101"],"award-info":[{"award-number":["31660101"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["81660589"],"award-info":[{"award-number":["81660589"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Life Sciences"],"published-print":{"date-parts":[[2022,7]]},"DOI":"10.1016\/j.lfs.2022.120583","type":"journal-article","created":{"date-parts":[[2022,4,30]],"date-time":"2022-04-30T18:24:58Z","timestamp":1651343098000},"page":"120583","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":7,"special_numbering":"C","title":["Wangzaozin A, a potent novel microtubule stabilizer, targets both the taxane and laulimalide sites on \u03b2-tubulin through molecular dynamics simulations"],"prefix":"10.1016","volume":"301","author":[{"given":"Ming-Hui","family":"Yang","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jun","family":"Mao","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jin-Hui","family":"Zhu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hui","family":"Zhang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lan","family":"Ding","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"issue":"4","key":"10.1016\/j.lfs.2022.120583_bb0005","doi-asserted-by":"crossref","first-page":"253","DOI":"10.1038\/nrc1317","article-title":"Microtubules as a target for anticancer drugs","volume":"4","author":"Jordan","year":"2004","journal-title":"Nat. Rev. Cancer"},{"issue":"4","key":"10.1016\/j.lfs.2022.120583_bb0010","doi-asserted-by":"crossref","first-page":"309","DOI":"10.1038\/nrm2369","article-title":"Tracking the ends: a dynamic protein network controls the fate of microtubule tips","volume":"9","author":"Akhmanova","year":"2008","journal-title":"Nat. Rev. Mol. Cell Biol."},{"key":"10.1016\/j.lfs.2022.120583_bb0015","doi-asserted-by":"crossref","first-page":"134","DOI":"10.1016\/j.pharmthera.2015.12.006","article-title":"Microtubule-stabilizing agents: new drug discovery and cancer therapy","volume":"162","author":"Zhao","year":"2016","journal-title":"Pharmacol. Ther."},{"key":"10.1016\/j.lfs.2022.120583_bb0020","doi-asserted-by":"crossref","first-page":"806","DOI":"10.1016\/j.ejmech.2017.11.062","article-title":"Recent advances in microtubule-stabilizing agents","volume":"143","author":"Cao","year":"2018","journal-title":"Eur. J. Med. Chem."},{"issue":"10","key":"10.1016\/j.lfs.2022.120583_bb0025","doi-asserted-by":"crossref","first-page":"776","DOI":"10.1016\/j.tcb.2018.05.001","article-title":"Microtubule-targeting agents: strategies to hijack the cytoskeleton","volume":"28","author":"Steinmetz","year":"2018","journal-title":"Trends Cell Biol."},{"issue":"8","key":"10.1016\/j.lfs.2022.120583_bb0030","first-page":"2649","article-title":"AMXI-5001, a novel dual parp1\/2 and microtubule polymerization inhibitor for the treatment of human cancers","volume":"10","author":"Lemjabbar-Alaoui","year":"2020","journal-title":"Am. J. Cancer Res."},{"issue":"11","key":"10.1016\/j.lfs.2022.120583_bb0035","doi-asserted-by":"crossref","first-page":"1468","DOI":"10.3390\/molecules21111468","article-title":"Current advances of tubulin inhibitors in nanoparticle drug delivery and vascular disruption\/angiogenesis","volume":"21","author":"Banerjee","year":"2016","journal-title":"Molecules"},{"issue":"3","key":"10.1016\/j.lfs.2022.120583_bb0040","doi-asserted-by":"crossref","first-page":"335","DOI":"10.1039\/C3NP70092E","article-title":"Recent progress with microtubule stabilizers: new compounds, binding modes and cellular activities","volume":"31","author":"Rohena","year":"2014","journal-title":"Nat. Prod. Rep."},{"issue":"6","key":"10.1016\/j.lfs.2022.120583_bb0045","doi-asserted-by":"crossref","first-page":"3204","DOI":"10.1021\/acs.jcim.9b01133","article-title":"Mechanism-based rational discovery and in vitro evaluation of novel microtubule stabilizing agents with non-taxol-competitive activity","volume":"60","author":"Zuniga-Bustos","year":"2020","journal-title":"J. Chem. Inf. Model."},{"issue":"9","key":"10.1016\/j.lfs.2022.120583_bb0050","doi-asserted-by":"crossref","first-page":"1090","DOI":"10.1039\/C7NP00027H","article-title":"Diterpenoids from isodon species: an update","volume":"34","author":"Liu","year":"2017","journal-title":"Nat. Prod. Rep."},{"key":"10.1016\/j.lfs.2022.120583_bb0055","doi-asserted-by":"crossref","first-page":"102","DOI":"10.1016\/j.ejmech.2016.06.015","article-title":"Discovery and development of natural product oridonin-inspired anticancer agents","volume":"122","author":"Ding","year":"2016","journal-title":"Eur. J. Med. Chem."},{"issue":"1","key":"10.1016\/j.lfs.2022.120583_bb0060","doi-asserted-by":"crossref","first-page":"144","DOI":"10.3390\/biom10010144","article-title":"Mechanistic pathways and molecular targets of plant-derived anticancer ent-kaurane diterpenes","volume":"10","author":"Sarwar","year":"2020","journal-title":"Biomolecules"},{"key":"10.1016\/j.lfs.2022.120583_bb0065","doi-asserted-by":"crossref","first-page":"86","DOI":"10.1016\/j.ejphar.2019.01.010","article-title":"Leukamenin E, an ent-kaurane diterpenoid, is a novel and potential keratin intermediate filament inhibitor","volume":"846","author":"Zhu","year":"2019","journal-title":"Eur. J. Pharmacol."},{"issue":"5","key":"10.1016\/j.lfs.2022.120583_bb0070","doi-asserted-by":"crossref","first-page":"486","DOI":"10.1038\/nchembio.935","article-title":"Adenanthin targets peroxiredoxin I and II to induce differentiation of leukemic cells","volume":"8","author":"Liu","year":"2012","journal-title":"Nat. Chem. Biol."},{"key":"10.1016\/j.lfs.2022.120583_bb0075","doi-asserted-by":"crossref","DOI":"10.1038\/cddis.2014.345","article-title":"Adenanthin targets peroxiredoxin I\/II to kill hepatocellular carcinoma cells","volume":"5","author":"Hou","year":"2014","journal-title":"Cell Death Dis."},{"issue":"6","key":"10.1016\/j.lfs.2022.120583_bb0080","first-page":"3","article-title":"Studies on the chemical constituents of Wangzaozin (Rabdosin amethystoides)","volume":"25","author":"Wang","year":"1982","journal-title":"Zhong Cao Yao"},{"issue":"008","key":"10.1016\/j.lfs.2022.120583_bb0085","first-page":"1455","article-title":"Crystal structure for cytotoxic diterpenoids Wangzaozin A","volume":"26","author":"Ding","year":"2005","journal-title":"Chem. J. Chin. Univ."},{"issue":"8","key":"10.1016\/j.lfs.2022.120583_bb0090","first-page":"6","article-title":"Effect of an ent-kaurane diterpene Wangzaozin A on proliferation and apoptosis in human promyelocytic leukemia HL-60 cells","volume":"35","author":"Ding","year":"2013","journal-title":"J. Third Military Med. Univ."},{"issue":"24","key":"10.1016\/j.lfs.2022.120583_bb0095","first-page":"10","article-title":"Mechanism of wangzaozin A, an ent-kaurane diterpene, on cytoskeletal rearrangement and migration inhibition of A549 cells","volume":"51","author":"Yang","year":"2020","journal-title":"Zhong Cao Yao"},{"issue":"13","key":"10.1016\/j.lfs.2022.120583_bb0100","doi-asserted-by":"crossref","first-page":"12944","DOI":"10.1074\/jbc.M404706200","article-title":"Phosphodiesterase-5 inhibitor sildenafil preconditions adult cardiac myocytes against necrosis and apoptosis.Essential role of nitric oxide signaling","volume":"280","author":"Das","year":"2005","journal-title":"J. Biol. Chem."},{"issue":"1","key":"10.1016\/j.lfs.2022.120583_bb0105","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.canlet.2011.09.042","article-title":"Protopine, a novel microtubule-stabilizing agent, causes mitotic arrest and apoptotic cell death in human hormone-refractory prostate cancer cell lines","volume":"315","author":"Chen","year":"2012","journal-title":"Cancer Lett."},{"issue":"10","key":"10.1016\/j.lfs.2022.120583_bb0110","doi-asserted-by":"crossref","first-page":"118762","DOI":"10.1016\/j.bbamcr.2020.118762","article-title":"NMK-BH2, a novel microtubule-depolymerising bis (indolyl)-hydrazide-hydrazone, induces apoptotic and autophagic cell death in cervical cancer cells by binding to tubulin at colchicine - site","volume":"1867","author":"Mukherjee","year":"2020","journal-title":"Biochim. Biophys. Acta Mol. Cell Res."},{"key":"10.1016\/j.lfs.2022.120583_bb0115","doi-asserted-by":"crossref","first-page":"627","DOI":"10.1007\/978-1-4939-7000-1_26","article-title":"Protein Data Bank (PDB): the single global macromolecular structure archive","volume":"1607","author":"Burley","year":"2017","journal-title":"Methods Mol. Biol."},{"issue":"13","key":"10.1016\/j.lfs.2022.120583_bb0120","doi-asserted-by":"crossref","first-page":"1605","DOI":"10.1002\/jcc.20084","article-title":"UCSF Chimera\u2013a visualization system for exploratory research and analysis","volume":"25","author":"Pettersen","year":"2004","journal-title":"J. Comput. Chem."},{"issue":"2","key":"10.1016\/j.lfs.2022.120583_bb0125","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1002\/jcc.21334","article-title":"AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading","volume":"31","author":"Trott","year":"2010","journal-title":"J. Comput. Chem."},{"issue":"16","key":"10.1016\/j.lfs.2022.120583_bb0130","doi-asserted-by":"crossref","first-page":"1701","DOI":"10.1002\/jcc.20291","article-title":"GROMACS: fast, flexible, and free","volume":"26","author":"Van Der Spoel","year":"2005","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.lfs.2022.120583_bb0135","doi-asserted-by":"crossref","first-page":"367","DOI":"10.1186\/1756-0500-5-367","article-title":"ACPYPE - AnteChamber PYthon Parser interfacE","volume":"5","author":"Sousa da Silva","year":"2012","journal-title":"BMC Res. Notes"},{"issue":"7","key":"10.1016\/j.lfs.2022.120583_bb0140","doi-asserted-by":"crossref","first-page":"1951","DOI":"10.1021\/ci500020m","article-title":"C. Open Source Drug Discovery, and A. Lynn, g_mmpbsa--a GROMACS tool for high-throughput MM-PBSA calculations","volume":"54","author":"Kumari","year":"2014","journal-title":"J Chem Inf Model."},{"issue":"22","key":"10.1016\/j.lfs.2022.120583_bb0145","doi-asserted-by":"crossref","DOI":"10.1063\/5.0004608","article-title":"The ORCA quantum chemistry program package","volume":"152","author":"Neese","year":"2020","journal-title":"J. Chem. Phys."},{"issue":"5","key":"10.1016\/j.lfs.2022.120583_bb0150","doi-asserted-by":"crossref","first-page":"580","DOI":"10.1002\/jcc.22885","article-title":"Multiwfn: a multifunctional wavefunction analyzer","volume":"33","author":"Lu","year":"2012","journal-title":"J. Comput. Chem."},{"issue":"1","key":"10.1016\/j.lfs.2022.120583_bb0155","doi-asserted-by":"crossref","first-page":"27","DOI":"10.1016\/0263-7855(96)00018-5","article-title":"VMD: visual molecular dynamics","volume":"14","author":"Humphrey","year":"1996","journal-title":"J. Mol. Graph."},{"issue":"6","key":"10.1016\/j.lfs.2022.120583_bb0160","doi-asserted-by":"crossref","first-page":"686","DOI":"10.1016\/j.chembiol.2012.05.008","article-title":"Zampanolide, a potent new microtubule-stabilizing agent, covalently reacts with the taxane luminal site in tubulin \u03b1, \u03b2-heterodimers and microtubules","volume":"19","author":"Field","year":"2012","journal-title":"Chem Biol."},{"issue":"5698","key":"10.1016\/j.lfs.2022.120583_bb0165","doi-asserted-by":"crossref","first-page":"665","DOI":"10.1038\/277665a0","article-title":"Promotion of microtubule assembly in vitro by taxol","volume":"277","author":"Schiff","year":"1979","journal-title":"Nature"},{"key":"10.1016\/j.lfs.2022.120583_bb0170","doi-asserted-by":"crossref","first-page":"30","DOI":"10.1186\/1471-2121-5-30","article-title":"Cytoskeletal influences on nuclear shape in granulocytic HL-60 cells","volume":"5","author":"Olins","year":"2004","journal-title":"BMC Cell Biol."},{"issue":"2","key":"10.1016\/j.lfs.2022.120583_bb0175","doi-asserted-by":"crossref","first-page":"444","DOI":"10.1021\/acs.jcim.9b00828","article-title":"BitClust: fast geometrical clustering of long molecular dynamics simulations","volume":"60","author":"Gonzalez-Aleman","year":"2020","journal-title":"J. Chem. Inf. Model."},{"issue":"6119","key":"10.1016\/j.lfs.2022.120583_bb0180","doi-asserted-by":"crossref","first-page":"587","DOI":"10.1126\/science.1230582","article-title":"Molecular mechanism of action of microtubule-stabilizing anticancer agents","volume":"339","author":"Prota","year":"2013","journal-title":"Science"},{"issue":"5","key":"10.1016\/j.lfs.2022.120583_bb0185","doi-asserted-by":"crossref","first-page":"1117","DOI":"10.1016\/j.cell.2014.03.053","article-title":"High-resolution microtubule structures reveal the structural transitions in alphabeta-tubulin upon GTP hydrolysis","volume":"157","author":"Alushin","year":"2014","journal-title":"Cell"},{"issue":"9","key":"10.1016\/j.lfs.2022.120583_bb0190","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pcbi.1008132","article-title":"Microtubule instability driven by longitudinal and lateral strain propagation","volume":"16","author":"Igaev","year":"2020","journal-title":"PLoS Comput. Biol."},{"issue":"6","key":"10.1016\/j.lfs.2022.120583_bb0195","doi-asserted-by":"crossref","first-page":"1621","DOI":"10.1002\/anie.201307749","article-title":"Structural basis of microtubule stabilization by laulimalide and peloruside A","volume":"53","author":"Prota","year":"2014","journal-title":"Angew. Chem. Int. Ed. Engl."},{"issue":"10","key":"10.1016\/j.lfs.2022.120583_bb0200","doi-asserted-by":"crossref","first-page":"905","DOI":"10.1002\/cbic.201600696","article-title":"Structural basis of microtubule stabilization by discodermolide","volume":"18","author":"Prota","year":"2017","journal-title":"Chembiochem."},{"key":"10.1016\/j.lfs.2022.120583_bb0205","doi-asserted-by":"crossref","first-page":"15787","DOI":"10.1038\/ncomms15787","article-title":"Mechanism of microtubule stabilization by taccalonolide AJ","volume":"8","author":"Wang","year":"2017","journal-title":"Nat. Commun."},{"issue":"8","key":"10.1016\/j.lfs.2022.120583_bb0210","doi-asserted-by":"crossref","first-page":"668","DOI":"10.1002\/prot.25692","article-title":"Molecular modeling study on the differential microtubule-stabilizing effect in singly- and doubly-bonded complexes with peloruside A and paclitaxel","volume":"87","author":"Zuniga","year":"2019","journal-title":"Proteins"},{"issue":"2","key":"10.1016\/j.lfs.2022.120583_bb0215","doi-asserted-by":"crossref","first-page":"1770","DOI":"10.1021\/acsomega.7b01723","article-title":"Further insight into the interactions of the cytotoxic macrolides laulimalide and peloruside A with their common binding site","volume":"3","author":"Castro-Alvarez","year":"2018","journal-title":"ACS Omega"}],"container-title":["Life Sciences"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0024320522002831?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0024320522002831?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,9,20]],"date-time":"2025-09-20T21:00:51Z","timestamp":1758402051000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0024320522002831"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,7]]},"references-count":43,"alternative-id":["S0024320522002831"],"URL":"https:\/\/doi.org\/10.1016\/j.lfs.2022.120583","relation":{},"ISSN":["0024-3205"],"issn-type":[{"value":"0024-3205","type":"print"}],"subject":[],"published":{"date-parts":[[2022,7]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Wangzaozin A, a potent novel microtubule stabilizer, targets both the taxane and laulimalide sites on \u03b2-tubulin through molecular dynamics simulations","name":"articletitle","label":"Article Title"},{"value":"Life Sciences","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.lfs.2022.120583","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2022 Published by Elsevier Inc.","name":"copyright","label":"Copyright"}],"article-number":"120583"}}