{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,13]],"date-time":"2026-10-13T18:59:23Z","timestamp":1791917963024,"version":"4.3.4"},"update-to":[{"DOI":"10.1371\/journal.pntd.0013579","type":"new_version","label":"New version","source":"publisher","updated":{"date-parts":[[2025,10,15]],"date-time":"2025-10-15T00:00:00Z","timestamp":1760486400000}}],"reference-count":177,"publisher":"Public Library of Science (PLoS)","issue":"10","license":[{"start":{"date-parts":[[2025,10,9]],"date-time":"2025-10-09T00:00:00Z","timestamp":1759968000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["www.plosntds.org"],"crossmark-restriction":false},"short-container-title":["PLoS Negl Trop Dis"],"abstract":"<jats:p>Snakebite envenomation remains a pressing global health issue, contributing to high rates of illness and death. It also imposes significant socio-economic burdens on affected communities. Recent conservative estimates suggest that approximately 5.4 million snakebite incidents occur annually, leading to nearly 138,000 fatalities. In Africa alone, as many as 500,000 cases are documented each year. This research seeks to explore phytochemicals reported to exhibit <jats:italic><jats:italic>in vitro<\/jats:italic><\/jats:italic> and <jats:italic><jats:italic>in vivo<\/jats:italic><\/jats:italic> inhibitory effects on snake venom and toxin targets. A systematic review was conducted utilizing six electronic databases for literature searches, including Google Scholar, Web of Science, ScienceDirect, Scopus, Springer, and PubMed. This process identified 213 phytocompounds with inhibitory activity against the specified targets. Computational tools such as SwissADME, pkCSM, ADMETlab, ProTox3, Toxtree, and DataWarrior were employed to assess the absorption, distribution, metabolism, excretion, and toxicity (ADMET) characteristics, alongside other medicinal chemistry properties of these compounds. The results indicate that several plant-derived molecules effectively inhibit snake venom\/toxin targets <jats:italic><jats:italic>in vitro<\/jats:italic><\/jats:italic> and <jats:italic><jats:italic>in vivo<\/jats:italic><\/jats:italic>; however, only a few appear suitable for drug development without further modifications. Among the analyzed compounds, the terpenes labdane lactone and labdane trialdehyde, along with the benzenoid anisic acid, exhibited strong antivenom potential. Notably, anisic acid achieved complete (100%) neutralization of lethality and defibrinogenation induced by the venoms of <jats:italic><jats:italic>Naja kaouthia<\/jats:italic><\/jats:italic>, <jats:italic><jats:italic>Daboia russelii<\/jats:italic><\/jats:italic>, <jats:italic><jats:italic>Ophiophagus hannah<\/jats:italic><\/jats:italic>, and <jats:italic><jats:italic>Echis carinatus<\/jats:italic><\/jats:italic> in both <jats:italic><jats:italic>in vivo<\/jats:italic><\/jats:italic> and <jats:italic><jats:italic>in vitro<\/jats:italic><\/jats:italic> studies. Labdane lactone and labdane trialdehyde, which were isolated from <jats:italic><jats:italic>Curcuma antinaia<\/jats:italic><\/jats:italic> and <jats:italic><jats:italic>Curcuma zedoaroides<\/jats:italic><\/jats:italic>, respectively, demonstrated significant venom-inhibitory activity at a concentration of 22.7 \u03bcM and 21.9 \u03bcM against <jats:italic><jats:italic>Ophiophagus hannah<\/jats:italic><\/jats:italic> venom. Specifically, labdane lactone exhibited an inhibition rate of 83%, while labdane trialdehyde achieved a 62% inhibition rate against the venom of <jats:italic><jats:italic>Ophiophagus hannah<\/jats:italic><\/jats:italic> along with favorable <jats:italic><jats:italic>in silico<\/jats:italic><\/jats:italic> drug-likeness and ADMET profiles.<\/jats:p>","DOI":"10.1371\/journal.pntd.0013579","type":"journal-article","created":{"date-parts":[[2025,10,9]],"date-time":"2025-10-09T17:58:27Z","timestamp":1760032707000},"page":"e0013579","update-policy":"https:\/\/doi.org\/10.1371\/journal.pntd.corrections_policy","source":"Crossref","is-referenced-by-count":7,"title":["A review and in silico screening of plant-derived snake venom\/toxin inhibitors: ADMET, drug-likeness, and medicinal chemistry profiling"],"prefix":"10.1371","volume":"19","author":[{"given":"Prince","family":"Ojuka","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"George S.","family":"Nyamato","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Cleydson B.R.","family":"Santos","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5171-1940","authenticated-orcid":true,"given":"Njogu M.","family":"Kimani","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"340","published-online":{"date-parts":[[2025,10,9]]},"reference":[{"key":"pntd.0013579.ref001","doi-asserted-by":"crossref","first-page":"842576","DOI":"10.3389\/fimmu.2022.842576","article-title":"Plant-Derived Toxin Inhibitors as Potential Candidates to Complement Antivenom Treatment in Snakebite Envenomations","volume":"13","author":"AAX Adri\u00e3o","year":"2022","journal-title":"Front Immunol"},{"issue":"2","key":"pntd.0013579.ref002","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pntd.0007059","article-title":"Strategy for a globally coordinated response to a priority neglected tropical disease: Snakebite envenoming","volume":"13","author":"DJ Williams","year":"2019","journal-title":"PLoS Negl Trop Dis"},{"issue":"1","key":"pntd.0013579.ref003","first-page":"143","article-title":"Human-snake conflict patterns in a dense urban-forest mosaic landscape","volume":"14","author":"S Yue","year":"2019","journal-title":"Herpetol Conserv Biol"},{"key":"pntd.0013579.ref004","doi-asserted-by":"crossref","first-page":"38","DOI":"10.1186\/s40409-017-0127-6","article-title":"Snakebite envenomation turns again into a neglected tropical disease!","volume":"23","author":"J-P Chippaux","year":"2017","journal-title":"J Venom Anim Toxins Incl Trop Dis"},{"issue":"3","key":"pntd.0013579.ref005","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pone.0229989","article-title":"Identifying the snake: First scoping review on practices of communities and healthcare providers confronted with snakebite across the world","volume":"15","author":"I Bolon","year":"2020","journal-title":"PLoS One"},{"key":"pntd.0013579.ref006","doi-asserted-by":"crossref","first-page":"17079","DOI":"10.1038\/nrdp.2017.79","article-title":"Snakebite envenoming","volume":"3","author":"JM Guti\u00e9rrez","year":"2017","journal-title":"Nat Rev Dis Primers"},{"issue":"9","key":"pntd.0013579.ref007","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pntd.0004088","article-title":"Snakebite is Under Appreciated: Appraisal of Burden from West Africa","volume":"9","author":"AG Habib","year":"2015","journal-title":"PLoS Negl Trop Dis"},{"issue":"2","key":"pntd.0013579.ref008","doi-asserted-by":"crossref","first-page":"48","DOI":"10.1007\/s40475-020-00203-4","article-title":"Bothrops Snakebite Envenomings in the Amazon Region","volume":"7","author":"D Resiere","year":"2020","journal-title":"Curr Trop Med Rep"},{"issue":"7","key":"pntd.0013579.ref009","doi-asserted-by":"crossref","first-page":"451","DOI":"10.3390\/toxins13070451","article-title":"The Search for Natural and Synthetic Inhibitors That Would Complement Antivenoms as Therapeutics for Snakebite Envenoming","volume":"13","author":"JM Guti\u00e9rrez","year":"2021","journal-title":"Toxins (Basel)"},{"key":"pntd.0013579.ref010","unstructured":"Omara T, Kiwanuka Nakiguli C, Naiyl RA, Atieno Opondo F, Otieno SB, Ndiege ML. 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