{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,28]],"date-time":"2026-02-28T10:48:53Z","timestamp":1772275733804,"version":"3.50.1"},"reference-count":74,"publisher":"MDPI AG","issue":"3","license":[{"start":{"date-parts":[[2026,2,26]],"date-time":"2026-02-26T00:00:00Z","timestamp":1772064000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100016566","name":"Mohammed VI Polytechnic University","doi-asserted-by":"crossref","id":[{"id":"10.13039\/100016566","id-type":"DOI","asserted-by":"crossref"}]},{"name":"Ministry of Higher Education and Scientific Research"},{"name":"National Center for Scientific and Technical Research"},{"DOI":"10.13039\/501100016150","name":"OCP Foundation","doi-asserted-by":"crossref","id":[{"id":"10.13039\/501100016150","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Veterinary Sciences"],"abstract":"<jats:p>Fowl adenoviruses (FAdVs) represent a major threat to poultry health, with serotypes FAdV-1 and FAdV-4 causing adenoviral gizzard erosion (AGE) and hepatitis-hydropericardium syndrome (HHS), respectively. A wide variety of afflicted birds, including chicken, pigeon, and psittacine species, have been reported to carry aviadenoviruses. The disease is highly contagious and spreads rapidly between flocks and farms through vertical and horizontal transmission. In this study, we implemented a multi-stage computational drug-discovery pipeline to identify natural inhibitors of the viral fiber proteins for both FAdV-1 and FAdV-4. A curated library of 7523 natural compounds from the African Natural Products Database (ANPDB) and the South African Natural Compounds Database (SANCDB) was subjected to ADMET-based filtering, molecular docking, ADMET prediction, and 500 ns molecular dynamics simulations against four structural targets: Fiber-1 and Fiber-2 of FAdV-4, and the Short and Long Fibers of FAdV-1. Three ligands, ANPDB_6449 (\u221210.3 kcal\/mol), ANPDB_2908 (\u221210.2 and \u221210.0 kcal\/mol), and SANCDB_245 (\u22129.2 kcal\/mol), consistently emerged as strong candidates across the entire computational workflow. While ANPDB_2908 demonstrated notable multi-target capability by binding to fiber proteins from both FAdV-1 and FAdV-4, ANPDB_6449 and SANCDB_245 exhibited strong serotype-specific potential, supported by stable interaction profiles and favorable drug-likeness characteristics. Together, these compounds highlight promising natural scaffolds for the development of targeted antiviral interventions against pathogenic FAdV serotypes.<\/jats:p>","DOI":"10.3390\/vetsci13030223","type":"journal-article","created":{"date-parts":[[2026,2,26]],"date-time":"2026-02-26T14:51:29Z","timestamp":1772117489000},"page":"223","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Computational Identification of Natural Inhibitors Targeting Fiber Proteins of FAdV-1 and FAdV-4 Through Integrated Virtual Screening and Molecular Dynamics Simulations"],"prefix":"10.3390","volume":"13","author":[{"given":"Amina","family":"Kardoudi","sequence":"first","affiliation":[{"name":"Department of Veterinary Pathology and Public Health, Hassan II Agronomic and Veterinary Institute, B.P. 6202, Rabat 10000, Morocco"},{"name":"Molecular Biology Laboratory, Medical Biology Department, Pasteur Institute of Morocco, Casablanca 20000, Morocco"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Salaheddine","family":"Redouane","sequence":"additional","affiliation":[{"name":"Laboratory of Genomics and Human Genetics, Institute Pasteur du Maroc, Casablanca 10000, Morocco"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3120-5354","authenticated-orcid":false,"given":"Abdelouaheb","family":"Benani","sequence":"additional","affiliation":[{"name":"Molecular Biology Laboratory, Medical Biology Department, Pasteur Institute of Morocco, Casablanca 20000, Morocco"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Faouzi","family":"Kichou","sequence":"additional","affiliation":[{"name":"Department of Veterinary Pathology and Public Health, Hassan II Agronomic and Veterinary Institute, B.P. 6202, Rabat 10000, Morocco"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Charifa Drissi","family":"Touzani","sequence":"additional","affiliation":[{"name":"Department of Veterinary Pathology and Public Health, Hassan II Agronomic and Veterinary Institute, B.P. 6202, Rabat 10000, Morocco"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1803-3746","authenticated-orcid":false,"given":"Siham","family":"Fellahi","sequence":"additional","affiliation":[{"name":"Department of Veterinary Pathology and Public Health, Hassan II Agronomic and Veterinary Institute, B.P. 6202, Rabat 10000, Morocco"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2026,2,26]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"Kardoudi, A., Siham, F., Abdelmounaaim, A., Faouzi, K., Ikram, O., Thomas, J., and Abdelouaheb, B. (2025). A snapshot on molecular technologies for diagnosing FAdV infections. Front. Vet. Sci., 12.","DOI":"10.3389\/fvets.2025.1558257"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"655","DOI":"10.1080\/03079450120092143","article-title":"Polymerase chain reaction combined with restriction enzyme analysis for detection and differentiation of fowl adenoviruses","volume":"30","author":"Meulemans","year":"2001","journal-title":"Avian Pathol."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"101052","DOI":"10.1016\/j.psj.2021.101052","article-title":"Research Note: An overview on distribution of fowl adenoviruses","volume":"100","author":"Kiss","year":"2021","journal-title":"Poult. Sci."},{"key":"ref_4","doi-asserted-by":"crossref","unstructured":"Abghour, S., Zro, K., Mouahid, M., Tahiri, F., Tarta, M., Berrada, J., and Kichou, F. (2019). Isolation and characterization of fowl aviadenovirus serotype 11 from chickens with inclusion body hepatitis in Morocco. PLoS ONE, 14.","DOI":"10.1371\/journal.pone.0227004"},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"657","DOI":"10.1080\/03079457.2025.2509602","article-title":"Fowl aviadenoviruses in Moroccan poultry: Pathological characteristics and phylogenetic analysis of circulating fowl aviadenovirus strains from 2012 to 2024","volume":"54","author":"Ouchhour","year":"2025","journal-title":"Avian Pathol."},{"key":"ref_6","doi-asserted-by":"crossref","unstructured":"Kardoudi, A., Benani, A., Allaoui, A., Kichou, F., Biskri, L., Ouchhour, I., and Fellahi, S. (2025). Fowl Adenovirus Serotype 1: From Gizzard Erosion to Comprehensive Insights into Genome Organization, Epidemiology, Pathogenesis, Diagnosis, and Prevention. Vet. Sci., 12.","DOI":"10.3390\/vetsci12040378"},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1637\/aviandiseases-D-24-00004","article-title":"Gizzard Erosion and Ulceration Syndrome in Moroccan Poultry Flocks and Molecular Characterization of Fowl Adenoviruses (FAdV)","volume":"68","author":"Ouchhour","year":"2024","journal-title":"Avian Dis."},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"403","DOI":"10.1354\/vp.39-3-403","article-title":"Pancreatic necrosis and ventricular erosion in adenovirus-associated hydropericardium syndrome of broilers","volume":"39","author":"Nakamura","year":"2002","journal-title":"Vet. Pathol."},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"2630","DOI":"10.3382\/ps\/pex087","article-title":"Fowl adenovirus serotype 4: Epidemiology, pathogenesis, diagnostic detection, and vaccine strategies","volume":"96","author":"Li","year":"2017","journal-title":"Poult. Sci."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"526","DOI":"10.1637\/8178-112207-Case","article-title":"Outbreaks of Hydropericardium Syndrome and Molecular Characterization of Korean Fowl Adenoviral Isolates","volume":"52","author":"Kim","year":"2008","journal-title":"Avian Dis."},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"e121","DOI":"10.1111\/tbed.12691","article-title":"Epidemiological investigation of outbreaks of fowl adenovirus infections in commercial chickens in China","volume":"65","author":"Niu","year":"2018","journal-title":"Transbound. Emerg. Dis."},{"key":"ref_12","unstructured":"(2026, January 20). Isolation of An Adeno Virus from Hydropericardium Syndrome in Broiler Chicks. CABI Databases. Available online: https:\/\/www.cabidigitallibrary.org\/doi\/full\/10.5555\/19892293775."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"201","DOI":"10.1053\/rvsc.1999.0365","article-title":"Hydropericardium hepatitis syndrome of broiler poultry: Current status of research","volume":"68","author":"Ganesh","year":"2000","journal-title":"Res. Vet. Sci."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"606","DOI":"10.2307\/1592690","article-title":"Histology, Immunohistochemistry, and Ultrastructure of Hydropericardium Syndrome in Adult Broiler Breeders and Broiler Chicks","volume":"42","author":"Abe","year":"1998","journal-title":"Avian Dis."},{"key":"ref_15","first-page":"10353","article-title":"The detection of fowl adenovirus in chickens with hydropericardium syndrome in Isfahan and Charmahal-Va-Bakhtiyari provinces, Iran","volume":"96","author":"Hafshejani","year":"2023","journal-title":"J. Biol. Res."},{"key":"ref_16","first-page":"149","article-title":"Isolation and Characterization of Fowl Adenoviruses Associated with Hydro-pericardium Syndrome from Broiler Chickens in Egypt","volume":"13","author":"Hussein","year":"2023","journal-title":"J. World\u2019s Poult. Res."},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"182","DOI":"10.1080\/03079457.2021.1872766","article-title":"Epidemiology of fowl adenovirus (FAdV) infections in South Korean chickens during 2013\u20132019 following introduction of FAdV-4 vaccines","volume":"50","author":"Lai","year":"2021","journal-title":"Avian Pathol."},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"219","DOI":"10.1016\/0034-5288(95)90005-5","article-title":"Hydropericardium syndrome in broiler chickens: Its contagious nature and pathology","volume":"59","author":"Hasan","year":"1995","journal-title":"Res. Veter- Sci."},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"506","DOI":"10.3906\/vet-1612-19","article-title":"Prevalence and molecular characteristics of fowladenovirus serotype 4 in eastern Saudi Arabia","volume":"41","author":"Hemida","year":"2017","journal-title":"Turk. J. Vet. Anim. Sci."},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"268","DOI":"10.2307\/1593040","article-title":"Epizootic Outbreaks of Gizzard Erosion Associated with Adenovirus Infection in Chickens","volume":"45","author":"Ono","year":"2001","journal-title":"Avian Dis."},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"1561","DOI":"10.1292\/jvms.66.1561","article-title":"Pathogenicity of serotype 8 fowl adenovirus isolated from gizzard erosions of slaughtered broiler chickens","volume":"66","author":"Okuda","year":"2004","journal-title":"J. Vet. Med. Sci."},{"key":"ref_22","doi-asserted-by":"crossref","unstructured":"Cui, J., Xu, Y., Zhou, Z., Xu, Q., Wang, J., Xiao, Y., Li, Z., and Bi, D. (2020). Pathogenicity and Molecular Typing of Fowl Adenovirus-Associated With Hepatitis\/Hydropericardium Syndrome in Central China (2015\u20132018). Front. Vet. Sci., 7.","DOI":"10.3389\/fvets.2020.00190"},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"63","DOI":"10.1080\/03079457.2017.1367364","article-title":"Fowl aviadenovirus serotype 1 confirmed as the aetiological agent of gizzard erosions in replacement pullets and layer flocks in Great Britain by laboratory and in vivo studies","volume":"47","author":"Grafl","year":"2018","journal-title":"Avian Pathol."},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"554","DOI":"10.1637\/9730-032011-Reg.1","article-title":"Identification and Virulence Characterization of Fowl Adenoviruses in Korea","volume":"55","author":"Lim","year":"2011","journal-title":"Avian Dis."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"105366","DOI":"10.1016\/j.meegid.2022.105366","article-title":"Phylogenetic and pathogenic characterization of current fowl adenoviruses in China","volume":"105","author":"Li","year":"2022","journal-title":"Infect. Genet. Evol."},{"key":"ref_26","doi-asserted-by":"crossref","unstructured":"Jakab, S., Bali, K., Homonnay, Z., Kaszab, E., Ih\u00e1sz, K., Feh\u00e9r, E., Mat\u00f3, T., Kiss, I., Palya, V., and B\u00e1nyai, K. (2023). Genomic Epidemiology and Evolution of Fowl Adenovirus 1. Animals, 13.","DOI":"10.3390\/ani13182819"},{"key":"ref_27","doi-asserted-by":"crossref","unstructured":"Mirzazadeh, A., Grafl, B., Abbasnia, M., Emadi-Jamali, S., Abdi-Hachesoo, B., Schachner, A., and Hess, M. (2021). Reduced Performance Due to Adenoviral Gizzard Erosion in 16-Day-Old Commercial Broiler Chickens in Iran, Confirmed Experimentally. Front. Vet. Sci., 8.","DOI":"10.3389\/fvets.2021.635186"},{"key":"ref_28","first-page":"84","article-title":"Pathogenicity and Genotyping of Fowl Adenoviruses Associated with Gizzard Erosion in Commerciallayer Grower Chicken in India","volume":"37","author":"Bulbule","year":"2016","journal-title":"Indian, J. Comp. Microbiol. Immunol. Infect. Dis."},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"754","DOI":"10.1136\/vr.164.24.754","article-title":"Adenoviral gizzard erosions in Italian chicken flocks","volume":"164","author":"Manarolla","year":"2009","journal-title":"Vet. Rec."},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"257","DOI":"10.1080\/03079457.2022.2048631","article-title":"Gizzard erosions in broiler chickens in Sweden caused by fowl adenovirus serotype 1 (FAdV-1): Investigation of outbreaks, including whole-genome sequencing of an isolate","volume":"51","author":"Lindgren","year":"2022","journal-title":"Avian Pathol."},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"47","DOI":"10.1016\/j.meegid.2016.12.008","article-title":"Whole genome sequencing of Fowl aviadenovirus A\u2014A causative agent of gizzard erosion and ulceration, in adult laying hens","volume":"48","author":"Matczuk","year":"2017","journal-title":"Infect. Genet. Evol."},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"357","DOI":"10.1016\/j.vetmic.2013.09.025","article-title":"Molecular typing of fowl adenoviruses, isolated in Hungary recently, reveals high diversity","volume":"167","author":"Harrach","year":"2013","journal-title":"Vet. Microbiol."},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"322","DOI":"10.1637\/11826-030918-Case.1","article-title":"Adenoviral Gizzard Erosions in Two Belgian Broiler Farms","volume":"62","author":"Garmyn","year":"2018","journal-title":"Avian Dis."},{"key":"ref_34","doi-asserted-by":"crossref","first-page":"38","DOI":"10.17221\/27\/2022-VETMED","article-title":"Fowl adenovirus-induced different manifestations of the disease in two consecutive chicken breeding flocks in a poultry hall","volume":"68","author":"Levkutova","year":"2023","journal-title":"Vet. Med."},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"e08366","DOI":"10.1016\/j.heliyon.2021.e08366","article-title":"Epidemiological and molecular analysis of circulating fowl adenoviruses and emerging of serotypes 1, 3, and 8b in Egypt","volume":"7","author":"Adel","year":"2021","journal-title":"Heliyon"},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"413","DOI":"10.1080\/03079450903183660","article-title":"Siadenovirus infection in two psittacine bird species","volume":"38","author":"Wellehan","year":"2009","journal-title":"Avian Pathol."},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"293","DOI":"10.1111\/j.1751-0813.2003.tb12578.x","article-title":"Enteritis associated with adeno-virus-like particles in captive lorikeets","volume":"81","author":"Mackie","year":"2003","journal-title":"Aust. Vet. J."},{"key":"ref_38","doi-asserted-by":"crossref","unstructured":"Ishag, H.Z.A., Terab, A.M.A., Tigani-Asil, E.T.A.E., Bensalah, O.K., Khalil, N.A.H., Khalafalla, A.I., Hammadi, Z.M.A.H.A., Shah, A.A.M., Muhairi, S.S.M.A., and Ishag, H.Z.A. (2022). Pathology and Molecular Epidemiology of Fowl Adenovirus Serotype 4 Outbreaks in Broiler Chicken in Abu Dhabi Emirate, UAE. Vet. Sci., 9.","DOI":"10.3390\/vetsci9040154"},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"10","DOI":"10.1128\/JVI.00954-20","article-title":"Fiber-1, Not Fiber-2, Directly Mediates the Infection of the Pathogenic Serotype 4 Fowl Adenovirus via Its Shaft and Knob Domains","volume":"94","author":"Wang","year":"2020","journal-title":"J. Virol."},{"key":"ref_40","doi-asserted-by":"crossref","unstructured":"Lu, H., Guo, Y., Xu, Z., Wang, W., Lian, M., Li, T., Wan, Z., Shao, H., Qin, A., and Xie, Q. (2022). Fiber-1 of serotype 4 fowl adenovirus mediates superinfection resistance against serotype 8b fowl adenovirus. Front. Microbiol., 13.","DOI":"10.3389\/fmicb.2022.1086383"},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"e0143621","DOI":"10.1128\/spectrum.01436-21","article-title":"FAdV-4 without Fiber-2 Is a Highly Attenuated and Protective Vaccine Candidate","volume":"10","author":"Xie","year":"2022","journal-title":"Microbiol. Spectr."},{"key":"ref_42","doi-asserted-by":"crossref","unstructured":"Rashid, F., Xie, Z., Wei, Y., Xie, Z., Xie, L., Li, M., and Luo, S. (2024). Biological features of fowl adenovirus serotype-4. Front. Cell. Infect. Microbiol., 14.","DOI":"10.3389\/fcimb.2024.1370414"},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"2939","DOI":"10.1128\/jvi.70.5.2939-2949.1996","article-title":"The complete DNA sequence and genomic organization of the avian adenovirus CELO","volume":"70","author":"Chiocca","year":"1996","journal-title":"J. Virol."},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"1465","DOI":"10.1099\/0022-1317-82-6-1465","article-title":"Defining CAR as a cellular receptor for the avian adenovirus CELO using a genetic analysis of the two viral fibre proteins","volume":"82","author":"Tan","year":"2001","journal-title":"J. Gen. Virol."},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"23","DOI":"10.1186\/s13567-024-01277-y","article-title":"Variation in the affinity of three representative avian adenoviruses for the cellular coxsackievirus and adenovirus receptor","volume":"55","author":"Song","year":"2024","journal-title":"Vet. Res."},{"key":"ref_46","doi-asserted-by":"crossref","unstructured":"Rizvi, S.A.A., Einstein, G.P., Tulp, O.L., Sainvil, F., Branly, R., Rizvi, S.A.A., Einstein, G.P., Tulp, O.L., Sainvil, F., and Branly, R. (2022). Introduction to Traditional Medicine and Their Role in Prevention and Treatment of Emerging and Re-Emerging Diseases. Biomolecules, 12.","DOI":"10.3390\/biom12101442"},{"key":"ref_47","doi-asserted-by":"crossref","unstructured":"Thakur, M., Singh, K., and Khedkar, R. (2020). Phytochemicals: Extraction process, safety assessment, toxicological evaluations, and regulatory issues. Functional and Preservative Properties of Phytochemicals, Academic Press.","DOI":"10.1016\/B978-0-12-818593-3.00011-7"},{"key":"ref_48","first-page":"104","article-title":"Ajeet Anticancer Potential of Plants and Natural Products: A Review","volume":"1","author":"Prakash","year":"2013","journal-title":"Am. J. Pharmacol. Sci."},{"key":"ref_49","doi-asserted-by":"crossref","first-page":"153","DOI":"10.1016\/bs.armc.2020.02.002","article-title":"Anti-inflammatory natural products","volume":"Volume 55","author":"Olajide","year":"2020","journal-title":"Annual Reports in Medicinal Chemistry"},{"key":"ref_50","doi-asserted-by":"crossref","first-page":"243","DOI":"10.1016\/0378-8741(89)90001-9","article-title":"A review of natural products and plants as potential antidiabetic drugs","volume":"27","author":"Ivorra","year":"1989","journal-title":"J. Ethnopharmacol."},{"key":"ref_51","doi-asserted-by":"crossref","first-page":"303","DOI":"10.3390\/metabo2020303","article-title":"A historical overview of natural products in drug discovery","volume":"2","author":"Dias","year":"2012","journal-title":"Metabolites"},{"key":"ref_52","doi-asserted-by":"crossref","first-page":"9","DOI":"10.1002\/0471141755.ph0911s46","article-title":"Natural Products as a Foundation for Drug Discovery","volume":"46","author":"Beutler","year":"2009","journal-title":"Curr. Protoc. Pharmacol."},{"key":"ref_53","first-page":"396","article-title":"Virtual screening in lead discovery and optimization","volume":"7","author":"Jain","year":"2004","journal-title":"Curr. Opin. Drug Discov. Devel"},{"key":"ref_54","doi-asserted-by":"crossref","first-page":"862","DOI":"10.1038\/nature03197","article-title":"Virtual screening of chemical libraries","volume":"432","author":"Shoichet","year":"2004","journal-title":"Nature"},{"key":"ref_55","doi-asserted-by":"crossref","first-page":"e2000163","DOI":"10.1002\/minf.202000163","article-title":"Pharmacoinformatic Investigation of Medicinal Plants from East Africa","volume":"39","author":"Simoben","year":"2020","journal-title":"Mol. Inform."},{"key":"ref_56","doi-asserted-by":"crossref","first-page":"2067","DOI":"10.1021\/acs.jnatprod.7b00283","article-title":"NANPDB: A Resource for Natural Products from Northern African Sources","volume":"80","author":"Telukunta","year":"2017","journal-title":"J. Nat. Prod."},{"key":"ref_57","doi-asserted-by":"crossref","first-page":"e4473","DOI":"10.1002\/pro.4473","article-title":"PDBsum1: A standalone program for generating PDBsum analyses","volume":"31","author":"Laskowski","year":"2022","journal-title":"Protein Sci."},{"key":"ref_58","doi-asserted-by":"crossref","first-page":"W593","DOI":"10.1093\/nar\/gkac389","article-title":"PrankWeb 3: Accelerated ligand-binding site predictions for experimental and modelled protein structures","volume":"50","author":"Jakubec","year":"2022","journal-title":"Nucleic Acids Res."},{"key":"ref_59","doi-asserted-by":"crossref","first-page":"2407","DOI":"10.1099\/vir.0.82845-0","article-title":"Structure of the C-terminal head domain of the fowl adenovirus type 1 long fiber","volume":"88","author":"Fox","year":"2007","journal-title":"J. Gen. Virol."},{"key":"ref_60","doi-asserted-by":"crossref","first-page":"106208","DOI":"10.1016\/j.micpath.2023.106208","article-title":"Molecular docking and simulation studies of antiviral compounds against to fowl adenovirus type 4 receptor from\u2014Psittacine bird\u2014Melopsittacus undulates","volume":"181","author":"Andavar","year":"2023","journal-title":"Microb. Pathog."},{"key":"ref_61","doi-asserted-by":"crossref","unstructured":"Hassanzadeh, E., Khademvatan, S., Jafari, B., Jafari, A., and Yousefi, E. (2023). In vitro and in silico scolicidal effect of sanguinarine on the hydatid cyst protoscoleces. PLoS ONE, 18.","DOI":"10.1371\/journal.pone.0290947"},{"key":"ref_62","doi-asserted-by":"crossref","first-page":"1402","DOI":"10.1093\/bib\/bbaa428","article-title":"Virtual screening and molecular dynamics simulation study of plant-derived compounds to identify potential inhibitors of main protease from SARS-CoV-2","volume":"22","author":"Mahmud","year":"2021","journal-title":"Brief. Bioinform."},{"key":"ref_63","doi-asserted-by":"crossref","first-page":"W5","DOI":"10.1093\/nar\/gkab255","article-title":"ADMETlab 2.0: An integrated online platform for accurate and comprehensive predictions of ADMET properties","volume":"49","author":"Xiong","year":"2021","journal-title":"Nucleic Acids Res."},{"key":"ref_64","doi-asserted-by":"crossref","first-page":"118305","DOI":"10.1016\/j.ecoenv.2025.118305","article-title":"Unraveling DINCH\u2014Induced hepatotoxicity mechanisms via network toxicology and molecular docking with experimental validation","volume":"299","author":"Xin","year":"2025","journal-title":"Ecotoxicol. Environ. Saf."},{"key":"ref_65","doi-asserted-by":"crossref","first-page":"W513","DOI":"10.1093\/nar\/gkae303","article-title":"ProTox 3.0: A webserver for the prediction of toxicity of chemicals","volume":"52","author":"Banerjee","year":"2024","journal-title":"Nucleic Acids Res."},{"key":"ref_66","doi-asserted-by":"crossref","first-page":"118089","DOI":"10.1016\/j.ecoenv.2025.118089","article-title":"Aspartame increases the risk of liver cancer through CASP1 protein: A comprehensive network analysis insights","volume":"294","author":"Li","year":"2025","journal-title":"Ecotoxicol. Environ. Saf."},{"key":"ref_67","doi-asserted-by":"crossref","first-page":"147","DOI":"10.1007\/s00894-019-4011-x","article-title":"From GROMACS to LAMMPS: GRO2LAM: A converter for molecular dynamics software","volume":"25","author":"Cardellini","year":"2019","journal-title":"J. Mol. Model."},{"key":"ref_68","doi-asserted-by":"crossref","first-page":"114653","DOI":"10.1016\/j.foodres.2024.114653","article-title":"Application of the molecular dynamics simulation GROMACS in food science","volume":"190","author":"Yu","year":"2024","journal-title":"Food Res. Int."},{"key":"ref_69","doi-asserted-by":"crossref","unstructured":"Daina, A., and Zoete, V. (2019). Application of the SwissDrugDesign Online Resources in Virtual Screening. Int. J. Mol. Sci., 20.","DOI":"10.3390\/ijms20184612"},{"key":"ref_70","doi-asserted-by":"crossref","first-page":"2684","DOI":"10.1099\/jgv.0.000567","article-title":"Hydropericardium syndrome outbreak caused by fowl adenovirus serotype 4 in China in 2015","volume":"97","author":"Niu","year":"2016","journal-title":"J. Gen. Virol."},{"key":"ref_71","doi-asserted-by":"crossref","first-page":"111","DOI":"10.1080\/03079457.2017.1385724","article-title":"Fowl adenovirus-induced diseases and strategies for their control\u2014A review on the current global situation","volume":"47","author":"Schachner","year":"2018","journal-title":"Avian Pathol."},{"key":"ref_72","doi-asserted-by":"crossref","first-page":"255","DOI":"10.1007\/978-1-4939-7201-2_18","article-title":"Docking and Virtual Screening in Drug Discovery","volume":"1647","author":"Kontoyianni","year":"2017","journal-title":"Methods Mol. Biol."},{"key":"ref_73","doi-asserted-by":"crossref","first-page":"158","DOI":"10.1159\/000313530","article-title":"Anti-adenovirus activity of epiandrosterone and dehydroepiandrosterone derivatives","volume":"56","author":"Romanutti","year":"2010","journal-title":"Chemotherapy"},{"key":"ref_74","doi-asserted-by":"crossref","first-page":"89","DOI":"10.1080\/03602530600569877","article-title":"The Biological Actions of Dehydroepiandrosterone Involves Multiple Receptors","volume":"38","author":"Webb","year":"2006","journal-title":"Drug Metab. Rev."}],"container-title":["Veterinary Sciences"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/2306-7381\/13\/3\/223\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,2,28]],"date-time":"2026-02-28T05:25:52Z","timestamp":1772256352000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/2306-7381\/13\/3\/223"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,2,26]]},"references-count":74,"journal-issue":{"issue":"3","published-online":{"date-parts":[[2026,3]]}},"alternative-id":["vetsci13030223"],"URL":"https:\/\/doi.org\/10.3390\/vetsci13030223","relation":{},"ISSN":["2306-7381"],"issn-type":[{"value":"2306-7381","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,2,26]]}}}