{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,9]],"date-time":"2026-10-09T03:35:41Z","timestamp":1791516941004,"version":"4.3.4"},"reference-count":40,"publisher":"Wiley","issue":"1","license":[{"start":{"date-parts":[[2022,8,9]],"date-time":"2022-08-09T00:00:00Z","timestamp":1660003200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100001824","name":"Grantov\u00e1 Agentura \u010cesk\u00e9 Republiky","doi-asserted-by":"publisher","award":["GA20\u201022037S"],"award-info":[{"award-number":["GA20\u201022037S"]}],"id":[{"id":"10.13039\/501100001824","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chem Biol Drug Des"],"published-print":{"date-parts":[[2023,1]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>The mammalian target of rapamycin (mTOR) is an important biological target for development of novel anticancer drugs and potential antiageing agents. Therefore, many scientific groups search for mTOR kinase inhibitors. Herein, we present structure\u2010based approach which could be helpful in the studies on new bioactive compounds. Method validation was preceded by structural analysis of ATP catalytic cleft and FRB domain. In silico studies allowed us to point crucial amino acid residues for ligand binding and develop optimal docking protocols. The presented methodology could be applied for design and development of potential mTOR kinase inhibitors.<\/jats:p>","DOI":"10.1111\/cbdd.14126","type":"journal-article","created":{"date-parts":[[2022,8,4]],"date-time":"2022-08-04T06:59:17Z","timestamp":1659596357000},"page":"103-119","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":8,"title":["Searching for new <scp>mTOR<\/scp> kinase inhibitors: Analysis of binding sites and validation of docking protocols"],"prefix":"10.1111","volume":"101","author":[{"given":"Dorota","family":"Stary","sequence":"first","affiliation":[{"name":"Department of Physicochemical Drug Analysis, Faculty of Pharmacy Jagiellonian University Medical College  Cracow Poland"},{"name":"Department of Chemistry, Faculty of Science University of Hradec Kralove  Hradec Kralove Czech Republic"},{"name":"Doctoral School of Medical and Health Sciences Jagiellonian University Medical College  Cracow Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Eugenie","family":"Nepovimova","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Science University of Hradec Kralove  Hradec Kralove Czech Republic"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kamil","family":"Kuca","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Science University of Hradec Kralove  Hradec Kralove Czech Republic"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6032-0354","authenticated-orcid":false,"given":"Marek","family":"Bajda","sequence":"additional","affiliation":[{"name":"Department of Physicochemical Drug Analysis, Faculty of Pharmacy Jagiellonian University Medical College  Cracow Poland"},{"name":"Department of Chemistry, Faculty of Science University of Hradec Kralove  Hradec Kralove Czech Republic"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2022,8,9]]},"reference":[{"key":"e_1_2_8_2_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.aax3939"},{"key":"e_1_2_8_3_1","doi-asserted-by":"publisher","DOI":"10.4161\/cc.10.24.18486"},{"key":"e_1_2_8_4_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.aaa3870"},{"key":"e_1_2_8_5_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.7b00930"},{"key":"e_1_2_8_6_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/28.1.235"},{"key":"e_1_2_8_7_1","doi-asserted-by":"publisher","DOI":"10.1002\/JCC.21287"},{"key":"e_1_2_8_8_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41422\u2010018\u20100029\u20103"},{"key":"e_1_2_8_9_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.273.5272.239"},{"key":"e_1_2_8_10_1","doi-asserted-by":"publisher","DOI":"10.1158\/0008\u20105472.CAN\u201009\u20101751"},{"key":"e_1_2_8_11_1","doi-asserted-by":"publisher","DOI":"10.1093\/NAR\/GKV352"},{"key":"e_1_2_8_12_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pbio.1000038"},{"key":"e_1_2_8_13_1","doi-asserted-by":"publisher","DOI":"10.7554\/ELIFE.68799"},{"key":"e_1_2_8_14_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10930\u2010018\u20109785\u20107"},{"key":"e_1_2_8_15_1","doi-asserted-by":"publisher","DOI":"10.1242\/jcs.093773"},{"key":"e_1_2_8_16_1","doi-asserted-by":"publisher","DOI":"10.1002\/JCC.20945"},{"key":"e_1_2_8_17_1","doi-asserted-by":"publisher","DOI":"10.1080\/15384101.2016.1158362"},{"key":"e_1_2_8_18_1","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.6b00137"},{"key":"e_1_2_8_19_1","doi-asserted-by":"publisher","DOI":"10.1021\/bi060976"},{"key":"e_1_2_8_20_1","doi-asserted-by":"publisher","DOI":"10.1107\/S0907444998014747"},{"key":"e_1_2_8_21_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41580\u2010019\u20100199\u2010y"},{"key":"e_1_2_8_22_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm101520v"},{"key":"e_1_2_8_23_1","doi-asserted-by":"publisher","DOI":"10.1128\/mcb.00678\u201012"},{"key":"e_1_2_8_24_1","doi-asserted-by":"publisher","DOI":"10.1124\/mol.112.081349"},{"key":"e_1_2_8_25_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm300687e"},{"key":"e_1_2_8_26_1","doi-asserted-by":"publisher","DOI":"10.1158\/0008\u20105472.CAN\u201018\u20100232"},{"key":"e_1_2_8_27_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2013.01.019"},{"key":"e_1_2_8_28_1","doi-asserted-by":"publisher","DOI":"10.1158\/1535\u20107163.MCT\u201008\u20101200"},{"key":"e_1_2_8_29_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cell.2017.02.004"},{"key":"e_1_2_8_30_1","doi-asserted-by":"publisher","DOI":"10.1126\/SCIADV.ABC1251"},{"key":"e_1_2_8_31_1","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M109.040667"},{"key":"e_1_2_8_32_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm2009327"},{"key":"e_1_2_8_33_1","doi-asserted-by":"publisher","DOI":"10.1038\/sj.onc.1210693"},{"key":"e_1_2_8_34_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules26206162"},{"key":"e_1_2_8_35_1","unstructured":"Vistusertib (AZD2014) For Recurrent Grade II\u2010III Meningiomas. (2017).https:\/\/clinicaltrials.gov\/ct2\/show\/NCT03071874"},{"key":"e_1_2_8_36_1","doi-asserted-by":"publisher","DOI":"10.7554\/ELIFE.70871"},{"key":"e_1_2_8_37_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41592\u2010020\u20100913\u2010x"},{"key":"e_1_2_8_38_1","doi-asserted-by":"publisher","DOI":"10.1038\/nature25023"},{"key":"e_1_2_8_39_1","doi-asserted-by":"publisher","DOI":"10.1038\/nature12122"},{"key":"e_1_2_8_40_1","doi-asserted-by":"publisher","DOI":"10.1007\/s13238\u2010016\u20100346\u20106"},{"key":"e_1_2_8_41_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13578\u2010020\u201000396\u20101"}],"container-title":["Chemical Biology &amp; Drug Design"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1111\/cbdd.14126","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full-xml\/10.1111\/cbdd.14126","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1111\/cbdd.14126","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,8,19]],"date-time":"2023-08-19T21:34:35Z","timestamp":1692480875000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1111\/cbdd.14126"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,8,9]]},"references-count":40,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2023,1]]}},"alternative-id":["10.1111\/cbdd.14126"],"URL":"https:\/\/doi.org\/10.1111\/cbdd.14126","archive":["Portico"],"relation":{},"ISSN":["1747-0277","1747-0285"],"issn-type":[{"value":"1747-0277","type":"print"},{"value":"1747-0285","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,8,9]]},"assertion":[{"value":"2022-05-17","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2022-07-30","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2022-08-09","order":2,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}