{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,1]],"date-time":"2026-04-01T18:05:36Z","timestamp":1775066736876,"version":"3.50.1"},"reference-count":59,"publisher":"Informa UK Limited","issue":"1","funder":[{"name":"Deputy for Research and Innovation, Ministry of Education, Kingdom of Saudi Arabia","award":["NU\/IFC\/02\/MRC\/-004"],"award-info":[{"award-number":["NU\/IFC\/02\/MRC\/-004"]}]},{"name":"Institutional Funding Committee at Najran University, Kingdom of Saudi Arabia"}],"content-domain":{"domain":["www.tandfonline.com"],"crossmark-restriction":true},"short-container-title":["Journal of Biomolecular Structure and Dynamics"],"published-print":{"date-parts":[[2024,1,2]]},"DOI":"10.1080\/07391102.2023.2263560","type":"journal-article","created":{"date-parts":[[2023,9,29]],"date-time":"2023-09-29T05:22:11Z","timestamp":1695964931000},"page":"11-21","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":3,"title":["Molecular screening reveals Variolin B as a multitargeted inhibitor of lung cancer: a molecular docking-based fingerprinting and molecular dynamics simulation study"],"prefix":"10.1080","volume":"42","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-6722-6667","authenticated-orcid":false,"given":"Hassan H.","family":"Almasoudi","sequence":"first","affiliation":[{"name":"Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Najran University, Najran, Kingdom of Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2931-296X","authenticated-orcid":false,"given":"Mutaib M.","family":"Mashraqi","sequence":"additional","affiliation":[{"name":"Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Najran University, Najran, Kingdom of Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Saleh","family":"Alshamrani","sequence":"additional","affiliation":[{"name":"Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Najran University, Najran, Kingdom of Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ohud","family":"Alsalmi","sequence":"additional","affiliation":[{"name":"Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Taif University, Taif, Kingdom of Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Afaf Awwadh","family":"Alharthi","sequence":"additional","affiliation":[{"name":"Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Taif University, Taif, Kingdom of Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Amal F.","family":"Gharib","sequence":"additional","affiliation":[{"name":"Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Taif University, Taif, Kingdom of Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"301","published-online":{"date-parts":[[2023,9,28]]},"reference":[{"key":"e_1_3_5_2_1","doi-asserted-by":"publisher","DOI":"10.1007\/978-981-19-6379-7_15"},{"key":"e_1_3_5_3_1","doi-asserted-by":"publisher","DOI":"10.1177\/1934578X221115499"},{"key":"e_1_3_5_4_1","doi-asserted-by":"publisher","DOI":"10.6026\/97320630018170"},{"key":"e_1_3_5_5_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10722-022-01471-x"},{"key":"e_1_3_5_6_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2022.2060308"},{"key":"e_1_3_5_7_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2022.2146202"},{"key":"e_1_3_5_8_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2022.2110158"},{"key":"e_1_3_5_9_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules27144391"},{"key":"e_1_3_5_10_1","doi-asserted-by":"publisher","DOI":"10.3390\/medicina58040515"},{"key":"e_1_3_5_11_1","doi-asserted-by":"publisher","DOI":"10.1016\/B978-0-12-821013-0.00002-7"},{"key":"e_1_3_5_12_1","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-030-65912-7_13"},{"key":"e_1_3_5_13_1","doi-asserted-by":"publisher","DOI":"10.1038\/srep39680"},{"key":"e_1_3_5_14_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ctrv.2017.02.010"},{"key":"e_1_3_5_15_1","doi-asserted-by":"publisher","DOI":"10.1002\/ijc.33588"},{"key":"e_1_3_5_16_1","doi-asserted-by":"publisher","DOI":"10.1002\/cmdc.201500015"},{"key":"e_1_3_5_17_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm030644s"},{"key":"e_1_3_5_18_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.1095190"},{"key":"e_1_3_5_19_1","doi-asserted-by":"publisher","DOI":"10.1177\/1934578X221118549"},{"key":"e_1_3_5_20_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.apsb.2018.04.005"},{"key":"e_1_3_5_21_1","doi-asserted-by":"publisher","DOI":"10.1007\/978-981-16-9221-5_21"},{"key":"e_1_3_5_22_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules27186034"},{"key":"e_1_3_5_23_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2019.1680435"},{"key":"e_1_3_5_24_1","doi-asserted-by":"crossref","first-page":"123","DOI":"10.1007\/978-981-15-8534-0_7","volume-title":"Computational intelligence methods in COVID-19: Surveillance, prevention, prediction and diagnosis","author":"Khan F. N.","year":"2021","unstructured":"Khan, F. N., et\u00a0al. (2021). A review on predictive systems and data models for covid-19. In Computational intelligence methods in COVID-19: Surveillance, prevention, prediction and diagnosis (pp. 123\u2013164). Springer."},{"key":"e_1_3_5_25_1","doi-asserted-by":"publisher","DOI":"10.1201\/9781003146988-4"},{"key":"e_1_3_5_26_1","doi-asserted-by":"publisher","DOI":"10.1177\/1934578X221086988"},{"key":"e_1_3_5_27_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.mam.2010.04.001"},{"issue":"2","key":"e_1_3_5_28_1","first-page":"187","article-title":"Role of epidermal growth factor receptor in lung cancer and targeted therapies","volume":"7","author":"Liu T.-C.","year":"2017","unstructured":"Liu, T.-C., et\u00a0al. (2017). Role of epidermal growth factor receptor in lung cancer and targeted therapies. American Journal of Cancer Research, 7(2), 187.","journal-title":"American Journal of Cancer Research,"},{"key":"e_1_3_5_29_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.1c00302"},{"key":"e_1_3_5_30_1","doi-asserted-by":"publisher","DOI":"10.1080\/00268977200100031"},{"key":"e_1_3_5_31_1","doi-asserted-by":"publisher","DOI":"10.1016\/s1535-6108(02)00027-2"},{"issue":"2","key":"e_1_3_5_32_1","first-page":"125","article-title":"Phytochemical analysis and antifungal activity of weed extracts against rhizoctonia root rot in buckwheat (Fagopyrum tataricum)","volume":"16","author":"Pathak N.","year":"2021","unstructured":"Pathak, N., Prajneshu, M., Ahmad, S., Kumar, L., Bhaduri, A., Dhandapani, A., & Sharma, O. P. (2021). Phytochemical analysis and antifungal activity of weed extracts against rhizoctonia root rot in buckwheat (Fagopyrum tataricum). Biopesticide International, 16(2), 125\u2013131.","journal-title":"Biopesticide International,"},{"key":"e_1_3_5_33_1","doi-asserted-by":"publisher","DOI":"10.1002\/0471141755.ph0912s49"},{"key":"e_1_3_5_34_1","doi-asserted-by":"publisher","DOI":"10.1615\/JEnvironPatholToxicolOncol.2017018341"},{"key":"e_1_3_5_35_1","doi-asserted-by":"publisher","DOI":"10.1016\/B978-0-323-89824-9.00009-4"},{"key":"e_1_3_5_36_1","doi-asserted-by":"publisher","DOI":"10.1002\/cmdc.201500393"},{"key":"e_1_3_5_37_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chest.2018.10.041"},{"key":"e_1_3_5_38_1","volume-title":"Protein preparation wizard. Epik 2018\u20132013","author":"Schr\u00f6dinger Release","year":"2016","unstructured":"Schr\u00f6dinger Release. (2016). Protein preparation wizard. Epik 2018\u20132013. Schr\u00f6dinger, LLC."},{"key":"e_1_3_5_39_1","volume-title":"Desmond molecular dynamics system","author":"Schr\u00f6dinger Release","year":"2017","unstructured":"Schr\u00f6dinger Release. (2017a). Desmond molecular dynamics system. DE Shaw Research."},{"key":"e_1_3_5_40_1","volume-title":"Maestro","author":"Schr\u00f6dinger Release","year":"2017","unstructured":"Schr\u00f6dinger Release. (2017b). Maestro. Schr\u00f6dinger, LLC."},{"key":"e_1_3_5_41_1","volume-title":"LigPrep","author":"Schr\u00f6dinger Release","year":"2019","unstructured":"Schr\u00f6dinger Release. (2019). LigPrep. Schr\u00f6dinger, LLC."},{"key":"e_1_3_5_42_1","unstructured":"Schr\u00f6dinger Release. (2020a). Epik. Schr\u00f6dinger Release 1."},{"key":"e_1_3_5_43_1","volume-title":"Prime","author":"Schr\u00f6dinger Release","year":"2020","unstructured":"Schr\u00f6dinger Release. (2020b). Prime. Schr\u00f6dinger, LLC."},{"key":"e_1_3_5_44_1","unstructured":"Schr\u00f6dinger Release. (2020c). QikProp. 329."},{"key":"e_1_3_5_45_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10147-021-02108-2"},{"key":"e_1_3_5_46_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejca.2005.05.015"},{"key":"e_1_3_5_47_1","doi-asserted-by":"publisher","DOI":"10.3389\/fmed.2016.00076"},{"key":"e_1_3_5_48_1","doi-asserted-by":"publisher","DOI":"10.1021\/bi0485171"},{"key":"e_1_3_5_49_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jtcvs.2020.09.146"},{"key":"e_1_3_5_50_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.1c01714"},{"key":"e_1_3_5_51_1","doi-asserted-by":"publisher","DOI":"10.1007\/s11010-020-04027-8"},{"key":"e_1_3_5_52_1","doi-asserted-by":"publisher","DOI":"10.1016\/B978-0-323-90608-1.00001-0"},{"key":"e_1_3_5_53_1","doi-asserted-by":"publisher","DOI":"10.1038\/cddis.2014.28"},{"key":"e_1_3_5_54_1","doi-asserted-by":"publisher","DOI":"10.1093\/annonc\/mds139"},{"key":"e_1_3_5_55_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkx1037"},{"key":"e_1_3_5_56_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0008625"},{"key":"e_1_3_5_57_1","unstructured":"World Health Organization. (2004). Gender in lung cancer and smoking research."},{"key":"e_1_3_5_58_1","unstructured":"World Health Organization. (2020). WHO report on cancer: Setting priorities investing wisely and providing care for all."},{"key":"e_1_3_5_59_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2021.2021993"},{"key":"e_1_3_5_60_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0959-8049(01)00230-1"}],"container-title":["Journal of Biomolecular Structure and Dynamics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2023.2263560","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,9,24]],"date-time":"2024-09-24T15:28:38Z","timestamp":1727191718000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2023.2263560"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,9,28]]},"references-count":59,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2024,1,2]]}},"alternative-id":["10.1080\/07391102.2023.2263560"],"URL":"https:\/\/doi.org\/10.1080\/07391102.2023.2263560","relation":{},"ISSN":["0739-1102","1538-0254"],"issn-type":[{"value":"0739-1102","type":"print"},{"value":"1538-0254","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,9,28]]},"assertion":[{"value":"The publishing and review policy for this title is described in its Aims & Scope.","order":1,"name":"peerreview_statement","label":"Peer Review Statement"},{"value":"http:\/\/www.tandfonline.com\/action\/journalInformation?show=aimsScope&journalCode=tbsd20","URL":"http:\/\/www.tandfonline.com\/action\/journalInformation?show=aimsScope&journalCode=tbsd20","order":2,"name":"aims_and_scope_url","label":"Aim & Scope"},{"value":"2022-12-26","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2023-02-18","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2023-09-28","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}