{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,14]],"date-time":"2026-03-14T13:03:21Z","timestamp":1773493401390,"version":"3.50.1"},"reference-count":57,"publisher":"Wiley","issue":"12","license":[{"start":{"date-parts":[[2025,9,12]],"date-time":"2025-09-12T00:00:00Z","timestamp":1757635200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2025,9,12]],"date-time":"2025-09-12T00:00:00Z","timestamp":1757635200000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chemistry &amp;amp; Biodiversity"],"published-print":{"date-parts":[[2025,12]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    The present study evaluates the presence of phytochemicals in\n                    <jats:italic>Citrus limon<\/jats:italic>\n                    that have antibacterial properties against necrotizing fasciitis (NF). Aggressive skin and soft tissue infections resulting from muscle fascia and subcutaneous tissue necrosis are a subgroup of NF. This infection usually spreads along the facial plane, which has a weak blood supply. Because of this, the tissues above are untouched, which could postpone diagnosis and surgery. The infectious process has the potential to spread quickly, infecting the prefacial and facial planes and subsequently infecting the muscle, soft tissue, and skin underneath and above. The purpose of this study was to assess how\n                    <jats:italic>C. limon<\/jats:italic>\n                    phytochemicals work in concert to combat bacterial infections. The current study investigated the pharmacological characteristics, molecular docking, and simulation\u2010based molecular dynamics (MD) of bioactive components and the mechanism of action of\n                    <jats:italic>C. limon<\/jats:italic>\n                    in treating NF. All identified compounds\u2019 molecular interactions and binding affinities with the active sites of the CD46\/M protein (PDB;3o8e) and CD36\/scavenger receptor (PDB;5lgd) were investigated using the molecular docking technique. The crucial pharmacokinetic and drug\u2010likeness characteristics are supported by absorption, distribution, metabolism, excretion, and toxicity (ADMET) research.\n                    <jats:italic>C. limon<\/jats:italic>\n                    essential oils exhibit anticoagulant, antifungal, and antibacterial properties, and as the phytoconstituents exhibit strong antibacterial activities, they can be used to develop antibiotics against NF. As the current study demonstrated important theoretical results, it laid the groundwork for additional experimental validation and clinical trials about the biopotency of\n                    <jats:italic>C. limon's<\/jats:italic>\n                    phytoconstituents.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.202500372","type":"journal-article","created":{"date-parts":[[2025,9,12]],"date-time":"2025-09-12T20:06:59Z","timestamp":1757707619000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Unlocking the Potential of\n                    <i>Citrus limon<\/i>\n                    : Molecular Docking and Simulation for Designing Anti\u2010Necrotising Fasciitis Drug"],"prefix":"10.1002","volume":"22","author":[{"given":"Ruqia","family":"Bibi","sequence":"first","affiliation":[{"name":"Department of Botany University of Mianwali  Mianwali Punjab Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Abeera","family":"Zainab","sequence":"additional","affiliation":[{"name":"Department of Biotechnology University of Mianwali  Mianwali Punjab Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sumreen","family":"Dawood","sequence":"additional","affiliation":[{"name":"Department of Botany University of Mianwali  Mianwali Punjab Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Haris Ahmed","family":"Khan","sequence":"additional","affiliation":[{"name":"Department of Biotechnology University of Mianwali  Mianwali Punjab Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Muhammad Anwer","family":"Shah","sequence":"additional","affiliation":[{"name":"Department of Botany Ghazi University  Dera Ghazi Khan Punjab Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Aneela","family":"Nijabat","sequence":"additional","affiliation":[{"name":"Department of Botany University of Mianwali  Mianwali Punjab Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mushtaq","family":"Ahmad","sequence":"additional","affiliation":[{"name":"Department of Plant Sciences Quaid\u2010i\u2010Azam University  Islamabad Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Turki M.","family":"Dawoud","sequence":"additional","affiliation":[{"name":"Department of Botany and Microbiology, College of Science King Saud University  Riyadh Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mohammed H.","family":"Al Mughram","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, College of Pharmacy King Khalid University  Abha Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3707-8461","authenticated-orcid":false,"given":"Mohammed","family":"Bourhia","sequence":"additional","affiliation":[{"name":"Swalife Biotech Ltd Unit 3D North Point House North Point Business Park  Cork Ireland"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2025,9,12]]},"reference":[{"issue":"6","key":"e_1_2_12_2_1","article-title":"Anterior Abdominal Wall Necrotizing Fasciitis Following Laparoscopic Sleeve Gastrectomy With Hiatal Hernia Repair: A Case Report","volume":"16","author":"Fozo H.","year":"2024","journal-title":"Cureus"},{"key":"e_1_2_12_3_1","doi-asserted-by":"publisher","DOI":"10.2169\/internalmedicine.4021-24"},{"key":"e_1_2_12_4_1","article-title":"Critical Chest Wall Necrotizing Fasciitis Triggered by Herpes Zoster: A Case Report","volume":"25","author":"Alamri A. 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