{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,25]],"date-time":"2026-03-25T07:38:53Z","timestamp":1774424333121,"version":"3.50.1"},"reference-count":67,"publisher":"Wiley","issue":"3","license":[{"start":{"date-parts":[[2024,11,18]],"date-time":"2024-11-18T00:00:00Z","timestamp":1731888000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100007446","name":"King Khalid University","doi-asserted-by":"publisher","award":["RGP. 2\/381\/44"],"award-info":[{"award-number":["RGP. 2\/381\/44"]}],"id":[{"id":"10.13039\/501100007446","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chemistry &amp; Biodiversity"],"published-print":{"date-parts":[[2025,3]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Human carbonic anhydrase (hCA) plays a vital role in the development and progression of tumors in hypoxic conditions. Herein we report the hCA\u2010II and hCA\u2010IX activities of natural products isolated from <jats:italic>Aloe vera<\/jats:italic> (L.) Burm.f., to know their potential in tumors. These isolated compounds (<jats:bold>1<\/jats:bold>\u2013<jats:bold>10<\/jats:bold>) displayed varying degrees of inhibition against hCA\u2010II and hCA\u2010IX. All the compounds showed potent activity against hCA\u2010IX with IC<jats:sub>50<\/jats:sub> values in the range of 2.9\u201329.1\u2005\u03bcM. While for hCA\u2010II, compounds <jats:bold>1<\/jats:bold>, <jats:bold>2<\/jats:bold>, <jats:bold>5<\/jats:bold>\u2013<jats:bold>10<\/jats:bold> exhibited IC<jats:sub>50<\/jats:sub> in the range of 4.7\u201323.4\u2005\u03bcM. The most effective hCA IX and II inhibitors, <jats:bold>2<\/jats:bold> and <jats:bold>5<\/jats:bold>, were chosen for <jats:italic>in\u2005vitro<\/jats:italic> mechanism studies, revealing that they are competitive inhibitors. Furthermore, when tested for their cytotoxic effect on BJ (normal) cell line, all the compounds showed no cytotoxic behavior, while on Prostate cancer cells (PC\u20103), compounds <jats:bold>1, 3, 5, 7<\/jats:bold>, and <jats:bold>9<\/jats:bold> exhibited significant antiproliferative activity. Molecular docking was also conducted within the hCA IX and hCA\u2010II active sites to observe their binding capability. Compounds <jats:bold>1<\/jats:bold>, <jats:bold>5<\/jats:bold>, <jats:bold>7<\/jats:bold>, and <jats:bold>9<\/jats:bold> were active against both isozymes of hCA and in the PC\u20103\u2005cell line, therefore these are the best choices for further <jats:italic>in\u2005vivo<\/jats:italic> studies.<\/jats:p>","DOI":"10.1002\/cbdv.202401978","type":"journal-article","created":{"date-parts":[[2024,10,23]],"date-time":"2024-10-23T12:49:42Z","timestamp":1729687782000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Novel Anti\u2010Tumor Effect of Natural Products from <i>Aloe vera<\/i> Resin and their <i>In\u2010Vitro<\/i>\/<i>In\u2010Silico<\/i> Targeting Mechanism of Carbonic Anhydrase\u2010II and IX"],"prefix":"10.1002","volume":"22","author":[{"given":"Majid","family":"Khan","sequence":"first","affiliation":[{"name":"Natural and Medical Sciences Research Centre University of Nizwa  Nizwa 616 Oman"},{"name":"Department of Biochemistry University of Malakand  Chakdara, Dir lower, Khyber Pakhtunkhwa 18800 Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sobia","family":"Ahsan Halim","sequence":"additional","affiliation":[{"name":"Natural and Medical Sciences Research Centre University of Nizwa  Nizwa 616 Oman"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Najeeb","family":"Ur Rehman","sequence":"additional","affiliation":[{"name":"Natural and Medical Sciences Research Centre University of Nizwa  Nizwa 616 Oman"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0009-0001-4443-5001","authenticated-orcid":false,"given":"Ajmal","family":"Khan","sequence":"additional","affiliation":[{"name":"Natural and Medical Sciences Research Centre University of Nizwa  Nizwa 616 Oman"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Simon","family":"Gibbons","sequence":"additional","affiliation":[{"name":"Natural and Medical Sciences Research Centre University of Nizwa  Nizwa 616 Oman"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Rene","family":"Csuk","sequence":"additional","affiliation":[{"name":"Organic Chemistry Martin-Luther-University Halle-Wittenberg  Kurt-Mothes-Str. 2 D-06120 Halle (Saale) Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jalal","family":"Uddin","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry College of Pharmacy King Khalid University  Abha 62529 Kingdom of Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ahmed","family":"Al\u2010Harrasi","sequence":"additional","affiliation":[{"name":"Natural and Medical Sciences Research Centre University of Nizwa  Nizwa 616 Oman"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2024,11,18]]},"reference":[{"key":"e_1_2_10_1_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2016.12.035"},{"key":"e_1_2_10_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2020.104510"},{"key":"e_1_2_10_3_1","doi-asserted-by":"publisher","DOI":"10.1002\/jmr.3063"},{"key":"e_1_2_10_4_1","doi-asserted-by":"publisher","DOI":"10.3322\/caac.21660"},{"key":"e_1_2_10_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2021.113261"},{"key":"e_1_2_10_6_1","doi-asserted-by":"publisher","DOI":"10.1080\/17425255.2020.1743679"},{"key":"e_1_2_10_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2023.115538"},{"key":"e_1_2_10_8_1","doi-asserted-by":"publisher","DOI":"10.3390\/metabo10100412"},{"key":"e_1_2_10_9_1","doi-asserted-by":"publisher","DOI":"10.1096\/fasebj.29.1_supplement.725.7"},{"key":"e_1_2_10_10_1","doi-asserted-by":"publisher","DOI":"10.1042\/BCJ20160115"},{"key":"e_1_2_10_11_1","doi-asserted-by":"publisher","DOI":"10.1080\/14756366.2021.1972995"},{"key":"e_1_2_10_12_1","doi-asserted-by":"publisher","DOI":"10.2174\/138161208783877884"},{"key":"e_1_2_10_13_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsmedchemlett.0c00094"},{"key":"e_1_2_10_14_1","doi-asserted-by":"publisher","DOI":"10.3390\/metabo10100412"},{"key":"e_1_2_10_15_1","doi-asserted-by":"publisher","DOI":"10.3109\/14756366.2015.1122001"},{"key":"e_1_2_10_16_1","doi-asserted-by":"publisher","DOI":"10.1021\/ml500470b"},{"key":"e_1_2_10_17_1","doi-asserted-by":"publisher","DOI":"10.1080\/13543784.2021.2014813"},{"key":"e_1_2_10_18_1","first-page":"99","volume":"3","author":"Farr M.","year":"1985","journal-title":"Clin. Exp. Rheumatol."},{"key":"e_1_2_10_19_1","doi-asserted-by":"publisher","DOI":"10.1523\/JNEUROSCI.15-05-03982.1995"},{"key":"e_1_2_10_20_1","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2474-11-1"},{"key":"e_1_2_10_21_1","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2474-13-256"},{"key":"e_1_2_10_22_1","doi-asserted-by":"crossref","unstructured":"C. Liu Y. Wei J. Wang L. Pi J. Huang P. Wang Clin. Dev. Immunol.2012 2012.","DOI":"10.1155\/2012\/354594"},{"key":"e_1_2_10_23_1","doi-asserted-by":"publisher","DOI":"10.1080\/14756366.2016.1217857"},{"key":"e_1_2_10_24_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.prostaglandins.2011.08.004"},{"key":"e_1_2_10_25_1","first-page":"81","volume":"1","author":"G\u00f6k\u015fen U.","year":"2010","journal-title":"Hacet. Univ. J. Fac. Pharm."},{"key":"e_1_2_10_26_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-019-54824-5"},{"key":"e_1_2_10_27_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41392-023-01332-8"},{"key":"e_1_2_10_28_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejps.2018.06.003"},{"key":"e_1_2_10_29_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2014.08.006"},{"key":"e_1_2_10_30_1","doi-asserted-by":"publisher","DOI":"10.1021\/np501015m"},{"key":"e_1_2_10_31_1","doi-asserted-by":"publisher","DOI":"10.7164\/antibiotics.42.1556"},{"key":"e_1_2_10_32_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0006-291X(82)80063-6"},{"key":"e_1_2_10_33_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm501573b"},{"key":"e_1_2_10_34_1","doi-asserted-by":"publisher","DOI":"10.1080\/14756366.2020.1788009"},{"key":"e_1_2_10_35_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2012.07.021"},{"key":"e_1_2_10_36_1","doi-asserted-by":"publisher","DOI":"10.2174\/0929866522666150622102131"},{"key":"e_1_2_10_37_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.phrs.2019.104416"},{"key":"e_1_2_10_38_1","doi-asserted-by":"publisher","DOI":"10.3390\/ph13050094"},{"key":"e_1_2_10_39_1","doi-asserted-by":"crossref","unstructured":"U. Taukoorah M.\u2005F. Mahomoodally Adv. Pharmacol. Pharm. Sci.2016 2016.","DOI":"10.1155\/2016\/3720850"},{"key":"e_1_2_10_40_1","doi-asserted-by":"publisher","DOI":"10.1142\/S0192415X14500189"},{"key":"e_1_2_10_41_1","doi-asserted-by":"publisher","DOI":"10.1080\/10408690490424694"},{"key":"e_1_2_10_42_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.tiv.2007.10.013"},{"key":"e_1_2_10_43_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.fct.2004.03.002"},{"key":"e_1_2_10_44_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1745-7254.2007.00707.x"},{"key":"e_1_2_10_45_1","first-page":"319","volume":"6","author":"Jose J.","year":"2014","journal-title":"Int. J. Pharm. Pharm. Sci."},{"key":"e_1_2_10_46_1","doi-asserted-by":"publisher","DOI":"10.1515\/znb-2017-0117"},{"key":"e_1_2_10_47_1","doi-asserted-by":"publisher","DOI":"10.3892\/etm.2021.10284"},{"key":"e_1_2_10_48_1","unstructured":"A.\u2005A. Fozia University of Nairobi Doctoral dissertation 2014."},{"key":"e_1_2_10_49_1","doi-asserted-by":"publisher","DOI":"10.2174\/092986711803414359"},{"key":"e_1_2_10_50_1","doi-asserted-by":"publisher","DOI":"10.51847\/ZFFtdBFaPt"},{"key":"e_1_2_10_51_1","doi-asserted-by":"publisher","DOI":"10.1080\/13880200490902446"},{"key":"e_1_2_10_52_1","doi-asserted-by":"publisher","DOI":"10.2478\/acph-2019-0027"},{"key":"e_1_2_10_53_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2022.117111"},{"key":"e_1_2_10_54_1","doi-asserted-by":"publisher","DOI":"10.1016\/0031-9422(93)85417-P"},{"key":"e_1_2_10_55_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0031-9422(00)00252-1"},{"key":"e_1_2_10_56_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1469-8137.2008.02576.x"},{"key":"e_1_2_10_57_1","doi-asserted-by":"publisher","DOI":"10.1021\/jf051047c"},{"key":"e_1_2_10_58_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0040-4039(00)89030-9"},{"key":"e_1_2_10_59_1","doi-asserted-by":"publisher","DOI":"10.1271\/bbb.58.1956"},{"key":"e_1_2_10_60_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2023.2240889"},{"key":"e_1_2_10_61_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2021.105009"},{"key":"e_1_2_10_62_1","doi-asserted-by":"publisher","DOI":"10.1002\/med.20159"},{"key":"e_1_2_10_63_1","doi-asserted-by":"publisher","DOI":"10.1080\/10273360410001700843"},{"key":"e_1_2_10_64_1","doi-asserted-by":"publisher","DOI":"10.1152\/ajpcell.00389.2001"},{"key":"e_1_2_10_65_1","doi-asserted-by":"publisher","DOI":"10.3389\/fchem.2022.1072337"},{"key":"e_1_2_10_66_1","unstructured":"E. Vega-Avila M.\u2005K. Pugsley in \u2032An overview of colorimetric assay methods used to assess survival or proliferation of mammalian cells\u2032 2011."},{"key":"e_1_2_10_67_1","unstructured":"in \u2032Molecular Operating Environment (MOE)\u2032 Chemical Computing Group ULC 1010 Sherbooke St. West Suite 910 Montreal QC Canada 2022.02."}],"container-title":["Chemistry &amp; Biodiversity"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/cbdv.202401978","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,3,23]],"date-time":"2025-03-23T06:27:53Z","timestamp":1742711273000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/cbdv.202401978"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,11,18]]},"references-count":67,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2025,3]]}},"alternative-id":["10.1002\/cbdv.202401978"],"URL":"https:\/\/doi.org\/10.1002\/cbdv.202401978","archive":["Portico"],"relation":{},"ISSN":["1612-1872","1612-1880"],"issn-type":[{"value":"1612-1872","type":"print"},{"value":"1612-1880","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,11,18]]},"assertion":[{"value":"2024-08-12","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2024-10-22","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2024-11-18","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"e202401978"}}