{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,13]],"date-time":"2026-10-13T12:47:35Z","timestamp":1791895655833,"version":"4.3.4"},"reference-count":94,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2025,9,1]],"date-time":"2025-09-01T00:00:00Z","timestamp":1756684800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2025,9,1]],"date-time":"2025-09-01T00:00:00Z","timestamp":1756684800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2025,9,1]],"date-time":"2025-09-01T00:00:00Z","timestamp":1756684800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2025,9,1]],"date-time":"2025-09-01T00:00:00Z","timestamp":1756684800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,9,1]],"date-time":"2025-09-01T00:00:00Z","timestamp":1756684800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2025,9,1]],"date-time":"2025-09-01T00:00:00Z","timestamp":1756684800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,9,1]],"date-time":"2025-09-01T00:00:00Z","timestamp":1756684800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100002385","name":"Ministry of Higher Education","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100002385","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004530","name":"Universiti Putra Malaysia","doi-asserted-by":"publisher","award":["GP-IPS\/2023\/9781900"],"award-info":[{"award-number":["GP-IPS\/2023\/9781900"]}],"id":[{"id":"10.13039\/501100004530","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Bioorganic Chemistry"],"published-print":{"date-parts":[[2025,9]]},"DOI":"10.1016\/j.bioorg.2025.108906","type":"journal-article","created":{"date-parts":[[2025,8,22]],"date-time":"2025-08-22T23:15:01Z","timestamp":1755904501000},"page":"108906","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":2,"special_numbering":"C","title":["Synthesis, in vitro and in silico evaluation of halogenated xanthone and benzophenone derivatives as antibacterial agents against acne-causing bacteria"],"prefix":"10.1016","volume":"164","author":[{"given":"Pavithren","family":"Devakrishnan","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nadiah Mad","family":"Nasir","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hanan","family":"Hasan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bimo Ario","family":"Tejo","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fatin Farhana","family":"Baharuddin","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"issue":"20","key":"10.1016\/j.bioorg.2025.108906_bb0005","doi-asserted-by":"crossref","first-page":"2055","DOI":"10.1001\/jama.2021.17633","article-title":"Management of Acne Vulgaris: a review","volume":"326","author":"Eichenfield","year":"2021","journal-title":"JAMA"},{"issue":"10","key":"10.1016\/j.bioorg.2025.108906_bb0010","doi-asserted-by":"crossref","DOI":"10.1126\/sciadv.adf0854","article-title":"Ultrasound-triggered interfacial engineering-based microneedle for bacterial infection acne treatment","volume":"9","author":"Xiang","year":"2023","journal-title":"Sci. Adv."},{"issue":"5 Pt 3","key":"10.1016\/j.bioorg.2025.108906_bb0015","doi-asserted-by":"crossref","first-page":"S15","DOI":"10.1016\/0190-9622(95)90416-6","article-title":"New understandings of the pathogenesis of acne","volume":"32","author":"Leyden","year":"1995","journal-title":"J. Am. Acad. Dermatol."},{"issue":"5","key":"10.1016\/j.bioorg.2025.108906_bb0020","doi-asserted-by":"crossref","first-page":"945","DOI":"10.1016\/j.jaad.2015.12.037","article-title":"Guidelines of care for the management of acne vulgaris","volume":"74","author":"Zaenglein","year":"2016","journal-title":"J. Am. Acad. Dermatol."},{"issue":"2","key":"10.1016\/j.bioorg.2025.108906_bb0025","doi-asserted-by":"crossref","first-page":"S1","DOI":"10.1016\/j.jaad.2017.09.078","article-title":"Practical management of acne for clinicians: An international consensus from the global Alliance to improve outcomes in acne","volume":"78","author":"Thiboutot","year":"2018","journal-title":"J. Am. Acad. Dermatol."},{"issue":"S2","key":"10.1016\/j.bioorg.2025.108906_bb0030","doi-asserted-by":"crossref","first-page":"5","DOI":"10.1111\/jdv.15043","article-title":"Cutibacterium acnes (Propionibacterium acnes) and acne vulgaris: a brief look at the latest updates","volume":"32","author":"Dr\u00e9no","year":"2018","journal-title":"J. Eur. Acad. Dermatol. Venereol."},{"issue":"2","key":"10.1016\/j.bioorg.2025.108906_bb0035","doi-asserted-by":"crossref","first-page":"344","DOI":"10.1111\/bjd.14967","article-title":"Factors shaping the composition of the cutaneous microbiota","volume":"176","author":"Szab\u00f3","year":"2017","journal-title":"Br. J. Dermatol."},{"issue":"1","key":"10.1016\/j.bioorg.2025.108906_bb0040","doi-asserted-by":"crossref","first-page":"39491","DOI":"10.1038\/srep39491","article-title":"The balance of metagenomic elements shapes the skin microbiome in acne and health","volume":"6","author":"Barnard","year":"2016","journal-title":"Sci. Rep."},{"issue":"5","key":"10.1016\/j.bioorg.2025.108906_bb0045","doi-asserted-by":"crossref","first-page":"380","DOI":"10.1016\/j.clindermatol.2004.03.006","article-title":"Acne: Inflammation","volume":"22","author":"Farrar","year":"2004","journal-title":"Clin. Dermatol."},{"issue":"3","key":"10.1016\/j.bioorg.2025.108906_bb0050","doi-asserted-by":"crossref","first-page":"1535","DOI":"10.4049\/jimmunol.169.3.1535","article-title":"Activation of toll-like receptor 2 in acne triggers inflammatory cytokine responses","volume":"169","author":"Kim","year":"2002","journal-title":"J. Immunol."},{"issue":"1","key":"10.1016\/j.bioorg.2025.108906_bb0055","doi-asserted-by":"crossref","first-page":"82","DOI":"10.1159\/000017876","article-title":"The possible role of reactive oxygen species generated by neutrophils in mediating acne inflammation","volume":"196","author":"Akamatsu","year":"1998","journal-title":"Dermatology"},{"issue":"2","key":"10.1016\/j.bioorg.2025.108906_bb0060","doi-asserted-by":"crossref","first-page":"183","DOI":"10.1586\/edm.10.6","article-title":"Staphylococcus colonization of the skin and antimicrobial peptides","volume":"5","author":"Otto","year":"2010","journal-title":"Expert Rev Dermatol."},{"issue":"1\u20133","key":"10.1016\/j.bioorg.2025.108906_bb0065","doi-asserted-by":"crossref","first-page":"330","DOI":"10.1016\/j.jep.2005.04.038","article-title":"Antimicrobial effects of Thai medicinal plants against acne-inducing bacteria","volume":"101","author":"Chomnawang","year":"2005","journal-title":"J. Ethnopharmacol."},{"issue":"6","key":"10.1016\/j.bioorg.2025.108906_bb0070","doi-asserted-by":"crossref","first-page":"321","DOI":"10.1002\/der2.49","article-title":"Treating acne with the tetracycline class of antibiotics: a review","volume":"2","author":"Graber","year":"2021","journal-title":"Dermatological Rev."},{"issue":"4","key":"10.1016\/j.bioorg.2025.108906_bb0075","doi-asserted-by":"crossref","first-page":"418","DOI":"10.1111\/j.1365-4632.2011.05371.x","article-title":"Antimicrobial susceptibility and genetic characteristics of Propionibacterium acnes isolated from patients with acne","volume":"52","author":"Schafer","year":"2013","journal-title":"Int. J. Dermatol."},{"issue":"2","key":"10.1016\/j.bioorg.2025.108906_bb0080","doi-asserted-by":"crossref","first-page":"188","DOI":"10.3390\/antibiotics12020188","article-title":"Topical antibiotic treatment in dermatology","volume":"12","author":"Dallo","year":"2023","journal-title":"Antibiotics"},{"issue":"2","key":"10.1016\/j.bioorg.2025.108906_bb0085","doi-asserted-by":"crossref","DOI":"10.1002\/cbdv.201900499","article-title":"Xanthones and Cancer: from natural sources to mechanisms of action","volume":"17","author":"Klein-J\u00fanior","year":"2020","journal-title":"Chem. Biodivers."},{"key":"10.1016\/j.bioorg.2025.108906_bb0090","doi-asserted-by":"crossref","first-page":"82","DOI":"10.1016\/j.jgar.2024.07.005","article-title":"Prevalence of antibiotic-resistant Cutibacterium acnes (formerly Propionibacterium acnes) isolates, a systematic review and meta-analysis","volume":"39","author":"Beig","year":"2024","journal-title":"J. Glob Antimicrob Resist."},{"issue":"1","key":"10.1016\/j.bioorg.2025.108906_bb0095","doi-asserted-by":"crossref","first-page":"145","DOI":"10.3390\/antibiotics12010145","article-title":"Microbiomes in acne vulgaris and their susceptibility to antibiotics in Indonesia: a systematic review and Meta-analysis","volume":"12","author":"Legiawati","year":"2023","journal-title":"Antibiotics"},{"issue":"2","key":"10.1016\/j.bioorg.2025.108906_bb0100","doi-asserted-by":"crossref","DOI":"10.36849\/JDD.SF378969","article-title":"Individual article: antibiotic stewardship in acne: 2023 update","volume":"23","author":"Issa","year":"2024","journal-title":"J. Drugs Dermatol."},{"issue":"1","key":"10.1016\/j.bioorg.2025.108906_bb0105","doi-asserted-by":"crossref","first-page":"30","DOI":"10.1186\/s13568-025-01833-5","article-title":"A 12-year surveillance study on distribution and antimicrobial resistance of gram-positive bacteria in Iran","volume":"15","author":"Salehi Rad","year":"2025","journal-title":"AMB Express"},{"issue":"2","key":"10.1016\/j.bioorg.2025.108906_bb0110","doi-asserted-by":"crossref","first-page":"431","DOI":"10.3390\/molecules26020431","article-title":"From natural products to new synthetic small molecules: a journey through the world of xanthones","volume":"26","author":"Pinto","year":"2021","journal-title":"Molecules"},{"issue":"10","key":"10.1016\/j.bioorg.2025.108906_bb0115","doi-asserted-by":"crossref","first-page":"1030","DOI":"10.3390\/d15101030","article-title":"Naturally occurring simple oxygenated benzophenones: structural diversity, distribution, and biological properties","volume":"15","author":"Marinov","year":"2023","journal-title":"Diversity (Basel)."},{"issue":"18","key":"10.1016\/j.bioorg.2025.108906_bb0120","doi-asserted-by":"crossref","first-page":"5575","DOI":"10.3390\/molecules26185575","article-title":"Xanthone glucosides: isolation, bioactivity and synthesis","volume":"26","author":"Huang","year":"2021","journal-title":"Molecules"},{"issue":"9","key":"10.1016\/j.bioorg.2025.108906_bb0125","doi-asserted-by":"crossref","first-page":"1158","DOI":"10.1039\/C4NP00027G","article-title":"Structural diversity and bioactivities of natural benzophenones","volume":"31","author":"Wu","year":"2014","journal-title":"Nat. Prod. Rep."},{"issue":"14","key":"10.1016\/j.bioorg.2025.108906_bb0130","doi-asserted-by":"crossref","first-page":"1144","DOI":"10.3390\/ph14111144","article-title":"An update on the anticancer activity of xanthone derivatives","volume":"11","author":"Kurniawan","year":"2021","journal-title":"A Review. Pharmaceuticals."},{"issue":"3","key":"10.1016\/j.bioorg.2025.108906_bb0135","doi-asserted-by":"crossref","first-page":"303","DOI":"10.2174\/138945010790711996","article-title":"Halogen atoms in the modern medicinal chemistry: hints for the drug design","volume":"11","author":"Hernandes","year":"2010","journal-title":"Curr. Drug Targets"},{"issue":"1","key":"10.1016\/j.bioorg.2025.108906_bb0140","doi-asserted-by":"crossref","first-page":"90","DOI":"10.1124\/pharmrev.123.000863","article-title":"Halogenated antimicrobial agents to combat drug-resistant pathogens","volume":"76","author":"Faleye","year":"2024","journal-title":"Pharmacol. Rev."},{"issue":"1","key":"10.1016\/j.bioorg.2025.108906_bb0145","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1021\/ci400539q","article-title":"Halogen Bond: Its Role beyond Drug\u2013Target Binding Affinity for Drug Discovery and Development","volume":"54","author":"Xu","year":"2014","journal-title":"J. Chem. Inf. Model."},{"issue":"5","key":"10.1016\/j.bioorg.2025.108906_bb0150","doi-asserted-by":"crossref","first-page":"1643","DOI":"10.3390\/molecules27051643","article-title":"New halogen-containing drugs approved by FDA in 2021: An overview on their syntheses and pharmaceutical use","volume":"27","author":"Benedetto Tiz","year":"2022","journal-title":"Molecules"},{"key":"10.1016\/j.bioorg.2025.108906_bb0155","doi-asserted-by":"crossref","DOI":"10.1016\/j.ejmech.2025.117380","article-title":"Highlights on U.S. FDA-approved halogen-containing drugs in 2024","volume":"287","author":"Ali","year":"2025","journal-title":"Eur. J. Med. Chem."},{"issue":"9","key":"10.1016\/j.bioorg.2025.108906_bb0160","doi-asserted-by":"crossref","first-page":"2688","DOI":"10.1039\/D0CS00034E","article-title":"Halogen bonds of halonium ions","volume":"49","author":"Turunen","year":"2020","journal-title":"Chem. Soc. Rev."},{"issue":"10","key":"10.1016\/j.bioorg.2025.108906_bb0165","doi-asserted-by":"crossref","first-page":"1019","DOI":"10.1021\/acsmedchemlett.8b00300","article-title":"Exploring Halogen Bonds in 5-Hydroxytryptamine 2B Receptor\u2013Ligand Interactions","volume":"9","author":"Zhou","year":"2018","journal-title":"ACS Med. Chem. Lett."},{"issue":"21","key":"10.1016\/j.bioorg.2025.108906_bb0170","doi-asserted-by":"crossref","first-page":"9341","DOI":"10.1021\/acs.jmedchem.8b01453","article-title":"Halogens in Protein\u2013Ligand Binding Mechanism: A Structural Perspective","volume":"62","author":"Shinada","year":"2019","journal-title":"J. Med. Chem."},{"issue":"8","key":"10.1016\/j.bioorg.2025.108906_bb0175","doi-asserted-by":"crossref","first-page":"872","DOI":"10.1021\/acsmedchemlett.5b00126","article-title":"Modulation of the interaction between a peptide ligand and a G protein-coupled receptor by halogen atoms","volume":"6","author":"Rosa","year":"2015","journal-title":"ACS Med. Chem. Lett."},{"issue":"1","key":"10.1016\/j.bioorg.2025.108906_bb0180","doi-asserted-by":"crossref","first-page":"14805","DOI":"10.1038\/s41598-020-71771-8","article-title":"Halogenation as a tool to tune antimicrobial activity of peptoids","volume":"10","author":"Molchanova","year":"2020","journal-title":"Sci. Rep."},{"issue":"34","key":"10.1016\/j.bioorg.2025.108906_bb0185","doi-asserted-by":"crossref","first-page":"23472","DOI":"10.1039\/D3RA02788K","article-title":"Benzophenones-natural metabolites with great hopes in drug discovery: structures, occurrence, bioactivities, and biosynthesis","volume":"13","author":"Ibrahim","year":"2023","journal-title":"RSC Adv."},{"key":"10.1016\/j.bioorg.2025.108906_bb0190","doi-asserted-by":"crossref","DOI":"10.1016\/j.rechem.2023.100789","article-title":"One-pot two-component synthesis of halogenated xanthone, 3-o substituted xanthone, and prenylated xanthone derivatives as aromatase inhibitors","volume":"5","author":"Ramakrishnan","year":"2023","journal-title":"Results Chem."},{"issue":"21","key":"10.1016\/j.bioorg.2025.108906_bb0195","doi-asserted-by":"crossref","first-page":"2447","DOI":"10.2174\/092986705774370736","article-title":"Synthesis of xanthones: An overview","volume":"12","author":"Sousa","year":"2005","journal-title":"Curr. Med. Chem."},{"issue":"49","key":"10.1016\/j.bioorg.2025.108906_bb0200","doi-asserted-by":"crossref","first-page":"34922","DOI":"10.1039\/D3RA06638J","article-title":"Effect of \u201cmagic chlorine\u201d in drug discovery: an in silico approach","volume":"13","author":"Joshi","year":"2023","journal-title":"RSC Adv."},{"key":"10.1016\/j.bioorg.2025.108906_bb0205","doi-asserted-by":"crossref","first-page":"117","DOI":"10.1016\/j.ejmech.2019.03.063","article-title":"Synthetic approaches and pharmaceutical applications of chloro-containing molecules for drug discovery: a critical review","volume":"173","author":"Fang","year":"2019","journal-title":"Eur. J. Med. Chem."},{"issue":"14","key":"10.1016\/j.bioorg.2025.108906_bb0210","doi-asserted-by":"crossref","first-page":"3188","DOI":"10.3390\/molecules25143188","article-title":"Design, facile synthesis and characterization of Dichloro substituted chalcones and dihydropyrazole derivatives for their antifungal, antitubercular and antiproliferative activities","volume":"25","author":"Shaik","year":"2020","journal-title":"Molecules"},{"issue":"5","key":"10.1016\/j.bioorg.2025.108906_bb0215","doi-asserted-by":"crossref","first-page":"575","DOI":"10.1080\/10286020.2023.2264784","article-title":"Potent halogenated xanthone derivatives: synthesis, molecular docking and study on antityrosinase activity","volume":"26","author":"Baharuddin","year":"2024","journal-title":"J. Asian Nat. Prod. Res."},{"issue":"3","key":"10.1016\/j.bioorg.2025.108906_bb0220","doi-asserted-by":"crossref","first-page":"288","DOI":"10.22236\/jbes\/6310267","article-title":"Antibacterial activity of cocoa leaf extract Theobroma cacao L. against acne-causing Bacteria Cutibacterium acnes and Staphylococcus epidermidis","volume":"6","author":"Putri","year":"2022","journal-title":"Bioeduscience"},{"issue":"1","key":"10.1016\/j.bioorg.2025.108906_bb0225","doi-asserted-by":"crossref","first-page":"14658","DOI":"10.1038\/s41598-019-50746-4","article-title":"In vitro antimicrobial activity of acne drugs against skin-associated Bacteria","volume":"9","author":"Blaskovich","year":"2019","journal-title":"Sci. Rep."},{"issue":"1","key":"10.1016\/j.bioorg.2025.108906_bb0230","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1139\/cjm-2023-0123","article-title":"Salicylic acids and pathogenic bacteria: new perspectives on an old compound","volume":"70","author":"Sykes","year":"2024","journal-title":"Can. J. Microbiol."},{"issue":"5","key":"10.1016\/j.bioorg.2025.108906_bb0235","doi-asserted-by":"crossref","first-page":"375","DOI":"10.1016\/j.clindermatol.2004.03.005","article-title":"Acne and propionibacterium acnes","volume":"22","author":"Bojar","year":"2004","journal-title":"Clin. Dermatol."},{"issue":"2","key":"10.1016\/j.bioorg.2025.108906_bb0240","doi-asserted-by":"crossref","first-page":"71","DOI":"10.1016\/j.jpha.2015.11.005","article-title":"Methods for in vitro evaluating antimicrobial activity: a review","volume":"6","author":"Balouiri","year":"2016","journal-title":"J Pharm Anal."},{"issue":"2","key":"10.1016\/j.bioorg.2025.108906_bb0245","doi-asserted-by":"crossref","first-page":"369","DOI":"10.1590\/S1517-83822007000200034","article-title":"Screening methods to determine antibacterial activity of natural products","volume":"38","author":"Valgas","year":"2007","journal-title":"Braz. J. Microbiol."},{"issue":"8","key":"10.1016\/j.bioorg.2025.108906_bb0250","doi-asserted-by":"crossref","first-page":"744","DOI":"10.3390\/antibiotics13080744","article-title":"Development of Xanthoangelol-derived compounds with membrane-disrupting effects against gram-positive Bacteria","volume":"13","author":"Yang","year":"2024","journal-title":"Antibiotics"},{"issue":"1","key":"10.1016\/j.bioorg.2025.108906_bb0255","doi-asserted-by":"crossref","first-page":"14180","DOI":"10.1038\/s41598-021-92964-9","article-title":"Insights into the molecular properties underlying antibacterial activity of prenylated (iso)flavonoids against MRSA","volume":"11","author":"Kalli","year":"2021","journal-title":"Sci. Rep."},{"issue":"46","key":"10.1016\/j.bioorg.2025.108906_bb0260","doi-asserted-by":"crossref","DOI":"10.1002\/slct.202302737","article-title":"Unlocking the antibacterial potential of xanthone from Calophyllum species: inhibition of nucleic acid synthesis","volume":"8","author":"Heilman","year":"2023","journal-title":"ChemistrySelect"},{"issue":"2","key":"10.1016\/j.bioorg.2025.108906_bb0265","doi-asserted-by":"crossref","first-page":"107","DOI":"10.1039\/D1MD00351H","article-title":"Antibacterial activities of plant-derived xanthones","volume":"13","author":"Liu","year":"2022","journal-title":"RSC Med. Chem."},{"issue":"5","key":"10.1016\/j.bioorg.2025.108906_bb0270","doi-asserted-by":"crossref","first-page":"174","DOI":"10.26656\/fr.2017.8(5).397","article-title":"Antimicrobial activity and antioxidant changes of spontaneously fermented mangosteen (Garcinia mangostana L.) peel","volume":"8","author":"Sasman","year":"2024","journal-title":"Food Res."},{"issue":"3","key":"10.1016\/j.bioorg.2025.108906_bb0275","doi-asserted-by":"crossref","first-page":"290","DOI":"10.1016\/j.jep.2006.04.003","article-title":"Anti-infective potential of natural products: How to develop a stronger in vitro \u2018proof-of-concept","volume":"106","author":"Cos","year":"2006","journal-title":"J. Ethnopharmacol."},{"issue":"6","key":"10.1016\/j.bioorg.2025.108906_bb0280","doi-asserted-by":"crossref","first-page":"864","DOI":"10.1086\/381972","article-title":"Clinical relevance of bacteriostatic versus bactericidal mechanisms of action in the treatment of gram-positive bacterial infections","volume":"38","author":"Pankey","year":"2004","journal-title":"Clin. Infect. Dis."},{"issue":"2","key":"10.1016\/j.bioorg.2025.108906_bb0285","doi-asserted-by":"crossref","first-page":"71","DOI":"10.1016\/j.jpha.2015.11.005","article-title":"Methods for in vitro evaluating antimicrobial activity: a review","volume":"6","author":"Balouiri","year":"2016","journal-title":"J Pharm Anal."},{"key":"10.1016\/j.bioorg.2025.108906_bb0290","doi-asserted-by":"crossref","first-page":"36","DOI":"10.1016\/j.bcab.2018.11.005","article-title":"Synthesis and antimicrobial activity of zinc oxide nanoparticles against foodborne pathogens Salmonella typhimurium and Staphylococcus aureus","volume":"17","author":"Akbar","year":"2019","journal-title":"Biocatal. Agric. Biotechnol."},{"key":"10.1016\/j.bioorg.2025.108906_bb0295","series-title":"On Exploring Structure\u2013Activity Relationships. In","first-page":"81","author":"Guha","year":"2013"},{"issue":"22","key":"10.1016\/j.bioorg.2025.108906_bb0300","doi-asserted-by":"crossref","first-page":"7855","DOI":"10.1016\/j.bmc.2010.09.047","article-title":"Synthesis and SAR studies of chiral non-racemic dexoxadrol analogues as uncompetitive NMDA receptor antagonists","volume":"18","author":"Banerjee","year":"2010","journal-title":"Bioorg. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.108906_bb0305","doi-asserted-by":"crossref","DOI":"10.1016\/j.rechem.2024.101998","article-title":"Development and evaluation of selective nitroxanthone derivatives: a promising compound for targeting MCF-7 breast cancer cells","volume":"13","author":"Devakrishnan","year":"2025","journal-title":"Results Chem."},{"key":"10.1016\/j.bioorg.2025.108906_bb0310","doi-asserted-by":"crossref","DOI":"10.1016\/j.ica.2024.122155","article-title":"Investigation of antimicrobial potential of nanocomposites based on functionalization of graphene oxide with zinc porphyrin complexes","volume":"569","author":"Yasmeen","year":"2024","journal-title":"Inorg. Chim. Acta"},{"issue":"7","key":"10.1016\/j.bioorg.2025.108906_bb0315","doi-asserted-by":"crossref","first-page":"3747","DOI":"10.1080\/07391102.2023.2226713","article-title":"In vitro and in vivo evaluation of the antimicrobial, antioxidant, cytotoxic, hemolytic activities and in silico POM\/DFT\/DNA-binding and pharmacokinetic analyses of new sulfonamide bearing thiazolidin-4-ones","volume":"42","author":"Hassan","year":"2024","journal-title":"J. Biomol. Struct. Dyn."},{"issue":"3","key":"10.1016\/j.bioorg.2025.108906_bb0320","doi-asserted-by":"crossref","first-page":"558","DOI":"10.1021\/jm0302997","article-title":"Evaluation of docking performance: comparative data on docking algorithms","volume":"47","author":"Kontoyianni","year":"2004","journal-title":"J. Med. Chem."},{"issue":"16","key":"10.1016\/j.bioorg.2025.108906_bb0325","doi-asserted-by":"crossref","first-page":"2785","DOI":"10.1002\/jcc.21256","article-title":"AutoDock4 and AutoDockTools4: automated docking with selective receptor flexibility","volume":"30","author":"Morris","year":"2009","journal-title":"J. Comput. Chem."},{"issue":"5","key":"10.1016\/j.bioorg.2025.108906_bb0330","doi-asserted-by":"crossref","first-page":"1038","DOI":"10.3390\/molecules23051038","article-title":"Is it reliable to take the molecular docking top scoring position as the best solution without considering available structural data?","volume":"23","author":"Ram\u00edrez","year":"2018","journal-title":"Molecules"},{"issue":"8","key":"10.1016\/j.bioorg.2025.108906_bb0335","doi-asserted-by":"crossref","first-page":"861","DOI":"10.2174\/1389557033487629","article-title":"In silico ADME prediction: data, models, facts and myths","volume":"3","author":"Lombardo","year":"2003","journal-title":"Mini-Rev. Med. Chem."},{"issue":"2","key":"10.1016\/j.bioorg.2025.108906_bb0340","doi-asserted-by":"crossref","first-page":"400","DOI":"10.1021\/ci6002202","article-title":"Use of amino acid composition to predict ligand-binding sites","volume":"47","author":"Soga","year":"2007","journal-title":"J. Chem. Inf. Model."},{"issue":"4","key":"10.1016\/j.bioorg.2025.108906_bb0345","doi-asserted-by":"crossref","first-page":"1395","DOI":"10.1021\/ci700096r","article-title":"Development of reliable aqueous solubility models and their application in druglike analysis","volume":"47","author":"Wang","year":"2007","journal-title":"J. Chem. Inf. Model."},{"issue":"1\u20132","key":"10.1016\/j.bioorg.2025.108906_bb0350","doi-asserted-by":"crossref","first-page":"29","DOI":"10.1016\/S0027-5107(00)00064-6","article-title":"The Ames Salmonella\/microsome mutagenicity assay","volume":"455","author":"Mortelmans","year":"2000","journal-title":"Mutation Res. Fundamental Mol. Mech. Mutagenesis"},{"issue":"1","key":"10.1016\/j.bioorg.2025.108906_bb0355","doi-asserted-by":"crossref","first-page":"42717","DOI":"10.1038\/srep42717","article-title":"SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules","volume":"7","author":"Daina","year":"2017","journal-title":"Sci. Rep."},{"issue":"5","key":"10.1016\/j.bioorg.2025.108906_bb0360","doi-asserted-by":"crossref","first-page":"535","DOI":"10.1016\/j.jscs.2011.10.023","article-title":"DABCO promoted one-pot synthesis of dihydropyrano(c)chromene and pyrano[2,3-d]pyrimidine derivatives and their biological activities","volume":"18","author":"Jain","year":"2014","journal-title":"J. Saudi Chem. Soc."},{"issue":"12","key":"10.1016\/j.bioorg.2025.108906_bb0365","doi-asserted-by":"crossref","first-page":"4018","DOI":"10.1016\/j.bmcl.2012.04.084","article-title":"Design and synthesis of gambogic acid analogs as potent cytotoxic and anti-inflammatory agents","volume":"22","author":"Yen","year":"2012","journal-title":"Bioorg. Med. Chem. Lett."},{"issue":"5","key":"10.1016\/j.bioorg.2025.108906_bb0370","doi-asserted-by":"crossref","first-page":"467","DOI":"10.1080\/10286020.2018.1454437","article-title":"Synthesis and antitumor, antityrosinase, and antioxidant activities of xanthone","volume":"20","author":"Zhou","year":"2018","journal-title":"J. Asian Nat. Prod. Res."},{"issue":"7","key":"10.1016\/j.bioorg.2025.108906_bb0375","doi-asserted-by":"crossref","first-page":"1729","DOI":"10.1021\/acs.jnatprod.5c00463","article-title":"Total synthesis of (\u00b1)-Minimiflorin and its Na + \/K + -ATPase and H + \/K + -ATPase inhibitory activities","volume":"88","author":"Yamawaki","year":"2025","journal-title":"J. Nat. Prod."},{"key":"10.1016\/j.bioorg.2025.108906_bb0380","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2025.143464","article-title":"Synthesis and inhibition of mushroom tyrosinase by new halogenated benzophenone and xanthone analogues: toxicity assessment and molecular insights","volume":"1348","author":"Baharuddin","year":"2025","journal-title":"J. Mol. Struct."},{"issue":"3","key":"10.1016\/j.bioorg.2025.108906_bb0385","first-page":"16","volume":"35","author":"Performance standards for antimicrobial susceptibility testing","year":"2016","journal-title":"CLSI - Clinical Lab Standards Institute."},{"key":"10.1016\/j.bioorg.2025.108906_bb0390","doi-asserted-by":"crossref","DOI":"10.1016\/j.bioorg.2024.107761","volume":"153","author":"Tataringa","year":"2024","journal-title":"Bioorg. Chem."},{"issue":"2","key":"10.1016\/j.bioorg.2025.108906_bb0395","doi-asserted-by":"crossref","first-page":"88","DOI":"10.26656\/fr.2017.5(2).431","article-title":"Antibacterial activity of taro (Colocasia esculenta L.) leaves extracts against Staphylococcus aureus and Vibrio parahaemolyticus and its effect on microbial population in sardine (Sardinella longiceps Val.)","volume":"5","author":"Padzil","year":"2021","journal-title":"Food Res."},{"issue":"8","key":"10.1016\/j.bioorg.2025.108906_bb0400","doi-asserted-by":"crossref","DOI":"10.1016\/j.heliyon.2023.e18749","article-title":"Controlling vegetative cells and spores growth of Bacillus spp. using ethanolic Ketapang (Terminalia catappa L.) leaf extract","volume":"9","author":"Madhavan","year":"2023","journal-title":"Heliyon"},{"key":"10.1016\/j.bioorg.2025.108906_bb0405","doi-asserted-by":"crossref","first-page":"64","DOI":"10.1016\/j.anaerobe.2018.05.004","article-title":"In-vitro investigation of anti-acne properties of Mangifera indica L. kernel extract and its mechanism of action against Propionibacterium acnes","volume":"52","author":"Poomanee","year":"2018","journal-title":"Anaerobe"},{"key":"10.1016\/j.bioorg.2025.108906_bb0410","doi-asserted-by":"crossref","first-page":"4965","DOI":"10.2147\/IDR.S419161","article-title":"Study on antibacterial activity and mechanism of improved Dian Dao San against Cutibacterium acnes (C. Acnes)","author":"An","year":"2023","journal-title":"Infect Drug Resist."},{"key":"10.1016\/j.bioorg.2025.108906_bb0415","first-page":"7","article-title":"Simple and versatile turbidimetric monitoring of bacterial growth in liquid cultures using a customized 3D printed culture tube holder and a miniaturized spectrophotometer: application to facultative and strictly anaerobic bacteria","volume":"31","author":"Maia","year":"2016","journal-title":"Front. Microbiol."},{"issue":"44","key":"10.1016\/j.bioorg.2025.108906_bb0420","article-title":"Antimicrobial activity and time kill curve study of newly synthesized dialkyl carboxylate cyclohexane derivative; a novel anti-Pseudomonas aeruginosa compound","volume":"25","author":"Israyilova","year":"2022","journal-title":"Acta Scientiarum Technol."},{"issue":"7226","key":"10.1016\/j.bioorg.2025.108906_bb0425","doi-asserted-by":"crossref","first-page":"219","DOI":"10.1038\/nature07614","article-title":"Structural basis for androgen specificity and oestrogen synthesis in human aromatase","volume":"457","author":"Ghosh","year":"2009","journal-title":"Nature"},{"issue":"2","key":"10.1016\/j.bioorg.2025.108906_bb0430","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":"8","key":"10.1016\/j.bioorg.2025.108906_bb0435","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pone.0012029","article-title":"Optimized hydrophobic interactions and hydrogen bonding at the target-ligand Interface leads the pathways of drug-designing","volume":"5","author":"Patil","year":"2010","journal-title":"PLoS One"},{"issue":"1","key":"10.1016\/j.bioorg.2025.108906_bb0440","first-page":"17","article-title":"Avogadro: an advanced semantic chemical editor, visualization, and analysis platform","volume":"4","author":"Hanwell","year":"2012","journal-title":"J. Chemother."},{"issue":"5","key":"10.1016\/j.bioorg.2025.108906_bb0445","doi-asserted-by":"crossref","first-page":"853","DOI":"10.1039\/C8MD00099A","article-title":"Design, synthesis and evaluation of cinnamic acid ester derivatives as mushroom tyrosinase inhibitors","volume":"9","author":"Sheng","year":"2018","journal-title":"Medchemcomm"},{"issue":"9","key":"10.1016\/j.bioorg.2025.108906_bb0450","doi-asserted-by":"crossref","DOI":"10.1016\/j.heliyon.2020.e04856","article-title":"Docking based screening and molecular dynamics simulations to identify potential selective PDE4B inhibitor","volume":"6","author":"Al-Nema","year":"2020","journal-title":"Heliyon"},{"issue":"9","key":"10.1016\/j.bioorg.2025.108906_bb0455","doi-asserted-by":"crossref","DOI":"10.48048\/tis.2025.10496","article-title":"Channelopathy activity of A-41(propyl Ester of gallic acid): experimental and computational study of antihypertensive activity","volume":"22","author":"Sodiqova","year":"2025","journal-title":"Trends in Sci."},{"key":"10.1016\/j.bioorg.2025.108906_bb0460","unstructured":"ADMETlab 3.0 [Internet]. [cited 2024 Aug 30]. Available from: https:\/\/admetmesh.scbdd.com\/service\/screening\/cal."},{"key":"10.1016\/j.bioorg.2025.108906_bb0465","unstructured":"SwissADME [Internet]. [cited 2024 Aug 30]. Available from: http:\/\/www.swissadme.ch\/."},{"issue":"1","key":"10.1016\/j.bioorg.2025.108906_bb0470","doi-asserted-by":"crossref","first-page":"4","DOI":"10.7897\/2321-6328.081119","article-title":"Molecular docking of selected compounds from clinacanthus nutans with Bcl-2, p53, caspase-3 and caspase-8 proteins in the apoptosis pathway","volume":"8","author":"Zafirah Ismail","year":"2020","journal-title":"J. Biol. Sci. Opinion."}],"container-title":["Bioorganic Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0045206825007862?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0045206825007862?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,3,6]],"date-time":"2026-03-06T17:26:40Z","timestamp":1772818000000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0045206825007862"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,9]]},"references-count":94,"alternative-id":["S0045206825007862"],"URL":"https:\/\/doi.org\/10.1016\/j.bioorg.2025.108906","relation":{},"ISSN":["0045-2068"],"issn-type":[{"value":"0045-2068","type":"print"}],"subject":[],"published":{"date-parts":[[2025,9]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Synthesis, in vitro and in silico evaluation of halogenated xanthone and benzophenone derivatives as antibacterial agents against acne-causing bacteria","name":"articletitle","label":"Article Title"},{"value":"Bioorganic Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bioorg.2025.108906","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2025 Elsevier Inc. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"108906"}}