{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,18]],"date-time":"2025-12-18T14:29:15Z","timestamp":1766068155223,"version":"3.41.2"},"reference-count":109,"publisher":"Frontiers Media SA","license":[{"start":{"date-parts":[[2025,1,16]],"date-time":"2025-01-16T00:00:00Z","timestamp":1736985600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["frontiersin.org"],"crossmark-restriction":true},"short-container-title":["Front. Vet. Sci."],"abstract":"<jats:p><jats:italic>Rickettsia felis<\/jats:italic>, responsible for flea-borne spotted fever, is a rising zoonotic pathogen posing an increasing global threat due to its expanding geographical distribution. The rise in antibiotic-resistant strains of this pathogen underscores the urgent need for new therapeutic interventions. This study employed a comprehensive subtractive proteomics analysis of the <jats:italic>R. felis<\/jats:italic> proteome, aiming to identify essential, non-host homologous, and pathogen-specific proteins, which were subsequently evaluated as potential new drug targets. These findings offer valuable insights into the development of therapeutic strategies against rickettsiosis. The analysis revealed 343 proteins that are non-homologous to the host, including 108 essential proteins, 25 unique metabolic pathways, and 11 distinct proteins. Out of these, 10 proteins were druggable in which two associated with virulence, and one related to resistance (succinate dehydrogenase). Through a rigorous screening process and extensive literature review, succinate dehydrogenase emerged as a promising drug target. Protein interaction partners for succinate dehydrogenase were identified using the STRING database. To further assess the functionality of succinate dehydrogenase, structure-based studies were conducted. Approximately 18,000 ZINC compounds were screened, leading to the finding of six potential inhibitors: ZINC67847806, ZINC67982856, ZINC67974679, ZINC67895371, ZINC05668040, and ZINC05670149. Absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiling confirmed that most compounds met the preferred pharmacokinetic properties, except for ZINC67895371 and ZINC67847806, which exhibited positive ames test results, and ZINC05670149, ZINC67895371, and ZINC67847806, showed hepatotoxicity. All compounds were found to be non-sensitizing to the skin. Based on these findings, further experimental validation of ZINC67974679, ZINC67982856, and ZINC05668040 is recommended.<\/jats:p>","DOI":"10.3389\/fvets.2024.1507496","type":"journal-article","created":{"date-parts":[[2025,1,16]],"date-time":"2025-01-16T14:01:32Z","timestamp":1737036092000},"update-policy":"https:\/\/doi.org\/10.3389\/crossmark-policy","source":"Crossref","is-referenced-by-count":1,"title":["Prediction of potential drug targets and key inhibitors (ZINC67974679, ZINC67982856, and ZINC05668040) against Rickettsia felis using integrated computational approaches"],"prefix":"10.3389","volume":"11","author":[{"given":"Sudais","family":"Rahman","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hsien","family":"Liu","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mohibuallah","family":"Shah","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mashal M.","family":"Almutairi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Iram","family":"Liaqat","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tetsuya","family":"Tanaka","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Chien-Chin","family":"Chen","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Abdulaziz","family":"Alouffi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Abid","family":"Ali","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1965","published-online":{"date-parts":[[2025,1,16]]},"reference":[{"key":"B1","doi-asserted-by":"publisher","first-page":"27","DOI":"10.1007\/s40475-016-0070-6","article-title":"Rickettsia felis, an emerging flea-borne rickettsiosis","volume":"3","author":"Brown","year":"2016","journal-title":"Curr Trop Med Rep."},{"key":"B2","doi-asserted-by":"publisher","first-page":"171","DOI":"10.1007\/978-3-319-13884-8_12","article-title":"Rickettsial infections, Bartonella infections, and coxiellosis","volume":"2017","author":"Ogrzewalska","year":"2017","journal-title":"Arthropod Borne Dis"},{"key":"B3","doi-asserted-by":"publisher","first-page":"1752","DOI":"10.1080\/21505594.2022.2132047","article-title":"Pathogenicity and virulence of Rickettsia","volume":"13","author":"Helminiak","year":"2022","journal-title":"Virulence"},{"key":"B4","doi-asserted-by":"publisher","first-page":"27","DOI":"10.1111\/j.1365-2583.1994.tb00147.x","article-title":"Molecular identification of rickettsia-like microorganisms associated with colonized cat fleas (Ctenocephalides felis)","volume":"3","author":"Higgins","year":"1994","journal-title":"Insect Mol Biol."},{"key":"B5","doi-asserted-by":"publisher","first-page":"1093","DOI":"10.1093\/jme\/tjx069","article-title":"First detection of Rickettsia typhi and Rickettsia felis in fleas collected from client-owned companion animals in the Southern Great Plains","volume":"54","author":"Noden","year":"2017","journal-title":"J Med Entomol."},{"key":"B6","doi-asserted-by":"publisher","first-page":"532","DOI":"10.4269\/ajtmh.2006.74.532","article-title":"First molecular detection of Rickettsia felis in fleas from Algeria","volume":"74","author":"Bitam","year":"2006","journal-title":"Am J Trop Med Hyg."},{"key":"B7","doi-asserted-by":"publisher","first-page":"422","DOI":"10.1111\/jvec.12185","article-title":"Rickettsia rickettsii and Rickettsia felis infection in Rhipicephalus sanguineus ticks and Ctenocephalides felis fleas co-existing in a small city in Yucatan, Mexico","volume":"40","author":"Peniche-Lara","year":"2015","journal-title":"J Vector Ecol."},{"key":"B8","doi-asserted-by":"publisher","first-page":"129","DOI":"10.1590\/S0036-46652015000200005","article-title":"Rickettsia typhi in rodents and R. felis in fleas in Yucat\u00e1n as a possible causal agent of undefined febrile cases","volume":"57","author":"Peniche-Lara","year":"2015","journal-title":"Revista do Instituto de Medicina Tropical de S\u00e3o Paulo."},{"key":"B9","doi-asserted-by":"publisher","first-page":"1342","DOI":"10.3390\/microorganisms10071342","article-title":"Rickettsia felis and other Rickettsia species in chigger mites collected from wild rodents in North Carolina, USA","volume":"10","author":"Ponnusamy","year":"2022","journal-title":"Microorganisms."},{"key":"B10","doi-asserted-by":"publisher","first-page":"2491","DOI":"10.3390\/microorganisms10122491","article-title":"Current data on Rickettsia felis occurrence in vectors, human and animal hosts in Europe: a scoping review","volume":"10","author":"Tsokana","year":"2022","journal-title":"Microorganisms."},{"key":"B11","doi-asserted-by":"publisher","first-page":"105282","DOI":"10.1016\/j.actatropica.2019.105282","article-title":"An overview of rickettsiae in Southeast Asia: vector-animal-human interface","volume":"202","author":"Low","year":"2020","journal-title":"Acta Trop."},{"key":"B12","doi-asserted-by":"publisher","first-page":"50","DOI":"10.3390\/pathogens8020050","article-title":"Systematic review of important bacterial zoonoses in Africa in the last decade in light of the \u2018One Health'concept","volume":"8","author":"Asante","year":"2019","journal-title":"Pathogens."},{"key":"B13","doi-asserted-by":"publisher","first-page":"105339","DOI":"10.1016\/j.actatropica.2020.105339","article-title":"Molecular detection of Rickettsia spp","volume":"205","author":"Ehlers","year":"2020","journal-title":"Acta Trop."},{"key":"B14","doi-asserted-by":"publisher","first-page":"554","DOI":"10.1016\/j.pt.2016.04.009","article-title":"Rickettsia felis: the complex journey of an emergent human pathogen","volume":"32","author":"Angelakis","year":"2016","journal-title":"Trends Parasitol."},{"key":"B15","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1186\/s13071-020-04464-w","article-title":"Identification of Rickettsia felis DNA in the blood of domestic cats and dogs in the USA","volume":"13","author":"Hoque","year":"2020","journal-title":"Parasit Vectors."},{"key":"B16","doi-asserted-by":"publisher","first-page":"1395","DOI":"10.1089\/vbz.2011.0641","article-title":"First report of the isolation and molecular characterization of Rickettsia amblyommii and Rickettsia felis in Central America","volume":"11","author":"Hun","year":"2011","journal-title":"Vector-Borne Zoo Dis."},{"key":"B17","doi-asserted-by":"publisher","first-page":"103","DOI":"10.2147\/RRTM.S160951","article-title":"A review of the genus Rickettsia in Central America","volume":"2018","author":"Berm\u00fadez","year":"2018","journal-title":"Res Reports trop. Med"},{"key":"B18","doi-asserted-by":"publisher","first-page":"238","DOI":"10.1590\/S0037-86822004000300009","article-title":"Clinical and laboratorial evidence of Rickettsia felis infections in Latin America","volume":"37","author":"Galv\u00e3o","year":"2004","journal-title":"Rev Soc Bras Med Trop."},{"key":"B19","doi-asserted-by":"publisher","first-page":"834","DOI":"10.1016\/j.micinf.2015.09.009","article-title":"Rickettsioses in europe","volume":"17","author":"Portillo","year":"2015","journal-title":"Microbes Infect."},{"key":"B20","doi-asserted-by":"publisher","first-page":"207","DOI":"10.3201\/eid0802.010293","article-title":"Rickettsia felis infection acquired in Europe and documented by polymerase chain reaction","volume":"8","author":"Richter","year":"2002","journal-title":"Emerg Infect Dis."},{"key":"B21","doi-asserted-by":"publisher","first-page":"1140","DOI":"10.3201\/eid1607.100070","article-title":"Rickettsia felis\u2013associated uneruptive fever, Senegal","volume":"16","author":"Socolovschi","year":"2010","journal-title":"Emerg Infect Dis."},{"key":"B22","doi-asserted-by":"publisher","first-page":"53","DOI":"10.4269\/ajtmh.16-0537","article-title":"Flea-borne rickettsioses and rickettsiae","volume":"96","author":"Blanton","year":"2017","journal-title":"Am J Trop Med Hyg."},{"key":"B23","doi-asserted-by":"publisher","first-page":"996","DOI":"10.1111\/j.1469-0691.2011.03516.x","article-title":"Rickettsia felis: from a rare disease in the USA to a common cause of fever in sub-Saharan Africa","volume":"17","author":"Parola","year":"2011","journal-title":"Clini Microbiol Infect."},{"key":"B24","doi-asserted-by":"publisher","first-page":"1775","DOI":"10.3201\/eid1911.130361","article-title":"Common epidemiology of Rickettsia felis infection and malaria, Africa","volume":"19","author":"Mediannikov","year":"2013","journal-title":"Emerg Infect Dis."},{"key":"B25","doi-asserted-by":"publisher","first-page":"e54679","DOI":"10.1371\/journal.pone.0054679","article-title":"Molecular evidence for the presence of Rickettsia felis in the feces of wild-living African apes","volume":"8","author":"Keita","year":"2013","journal-title":"PLoS ONE."},{"key":"B26","doi-asserted-by":"publisher","first-page":"1483","DOI":"10.3201\/eid2108.150328","article-title":"Rickettsia felis infection among humans","volume":"21","author":"Ferdouse","year":"2015","journal-title":"Emerg Infect Dis."},{"key":"B27","doi-asserted-by":"publisher","first-page":"4","DOI":"10.29261\/pakvetj\/2023.08","article-title":"Expression and purification of recombinant multi-epitope protein of rhipicephalus microplus tick and its antigenicity in the rabbit model","volume":"43","author":"Younas","year":"2023","journal-title":"Pakistan Vet. J"},{"key":"B28","first-page":"1","article-title":"Molecular investigation of ovine and caprine anaplasmosis in south-Eastern Anatolia region of Turkey","volume":"43","author":"Ceylan","year":"2023","journal-title":"Pakistan Vet. J"},{"key":"B29","doi-asserted-by":"publisher","first-page":"400","DOI":"10.4269\/ajtmh.1990.43.400","article-title":"Infection of colonized cat fleas, Ctenocephalides felis (Bouch\u00e9), with a rickettsia-like microorganism","volume":"43","author":"Adams","year":"1990","journal-title":"Am J Trop Med Hyg."},{"key":"B30","doi-asserted-by":"publisher","first-page":"255","DOI":"10.1007\/s10493-020-00505-2","article-title":"Detection of Rickettsia felis in ectoparasites collected from domestic animals","volume":"81","author":"de Oliveira","year":"2020","journal-title":"Exp Appl Acarol."},{"key":"B31","doi-asserted-by":"publisher","first-page":"55","DOI":"10.3389\/fpubh.2015.00055","article-title":"Challenges posed by tick-borne rickettsiae: eco-epidemiology and public health implications","volume":"3","author":"Eremeeva","year":"2015","journal-title":"Front Public Health."},{"key":"B32","doi-asserted-by":"publisher","first-page":"12","DOI":"10.1016\/j.vetpar.2015.04.022","article-title":"Deplazes, et al. The role of wild canids and felids in spreading parasites to dogs and cats in Europe: Part I: Protozoa and tick-borne agents","volume":"213","author":"Otranto","year":"2015","journal-title":"Vet Parasitol."},{"key":"B33","doi-asserted-by":"publisher","first-page":"1081","DOI":"10.3201\/eid1607.091885","article-title":"Human infection with Rickettsia felis, Kenya","volume":"16","author":"Richards","year":"2010","journal-title":"Emerg Infect Dis."},{"key":"B34","doi-asserted-by":"publisher","first-page":"694","DOI":"10.1128\/CMR.10.4.694","article-title":"Rickettsioses as paradigms of new or emerging infectious diseases","volume":"14","author":"Raoult","year":"2001","journal-title":"Clin Microbiol Rev."},{"key":"B35","doi-asserted-by":"publisher","first-page":"203","DOI":"10.1016\/j.clindermatol.2005.11.007","article-title":"Tropical rickettsioses","volume":"23","author":"Parola","year":"2005","journal-title":"Clini Dermatol."},{"key":"B36","doi-asserted-by":"publisher","first-page":"179","DOI":"10.3201\/eid0402.980205","article-title":"Rickettsial pathogens and their arthropod vectors","volume":"4","author":"Azad","year":"1998","journal-title":"Emerg Infect Dis."},{"key":"B37","doi-asserted-by":"publisher","first-page":"1029","DOI":"10.4269\/ajtmh.2004.71.93","article-title":"Prevalence of antibodies to spotted fever group rickettsiae in cats and dogs in Brazil","volume":"77","author":"Horta","year":"2007","journal-title":"Am J Trop Med Hyg."},{"key":"B38","doi-asserted-by":"publisher","first-page":"291","DOI":"10.4269\/ajtmh.17-0706","article-title":"Rickettsial infections among cats and cat fleas in Riverside County, California","volume":"99","author":"Mullins","year":"2018","journal-title":"Am J Trop Med Hyg."},{"key":"B39","doi-asserted-by":"publisher","first-page":"101621","DOI":"10.1016\/j.cimid.2021.101621","article-title":"Flea-borne pathogens in the cat flea Ctenocephalides felis and their association with mtDNA diversity of the flea host","volume":"75","author":"Azrizal-Wahid","year":"2021","journal-title":"Comp Immunol Microbiol Infect Dis."},{"key":"B40","first-page":"818","article-title":"Molecular detection of Rickettsia felis in fleas from wild mammals in Israel","volume":"48","author":"Morick","year":"2011","journal-title":"J Med Entomol."},{"key":"B41","doi-asserted-by":"publisher","first-page":"549","DOI":"10.3201\/eid0806.010350","article-title":"Geographic association of Rickettsia felis-infected opossums with human murine typhus, Texas","volume":"8","author":"Boostrom","year":"2002","journal-title":"Emerg Infect Dis."},{"key":"B42","first-page":"811","article-title":"Molecular investigation of fleas and ticks on rodents and lagomorphs for rickettsial pathogens","volume":"10","author":"Hornok","year":"2010","journal-title":"Vector-Borne Zoon Dis."},{"key":"B43","first-page":"747","article-title":"Rickettsia species detected in rodent ectoparasites in Kenya","volume":"19","author":"Maina","year":"2019","journal-title":"Vector-Borne and Zoonotic Diseases."},{"key":"B44","doi-asserted-by":"publisher","first-page":"1019","DOI":"10.3201\/eid1407.071656","article-title":"Rickettsia felis as emergent global threat for humans","volume":"14","author":"P\u00e9rez-Osorio","year":"2008","journal-title":"Emerg Infect Dis."},{"key":"B45","doi-asserted-by":"publisher","first-page":"8088","DOI":"10.1073\/pnas.1413835112","article-title":"Transmission potential of Rickettsia felis infection by Anopheles gambiae mosquitoes","volume":"112","author":"Dieme","year":"2015","journal-title":"Proc Nat Acad Sci."},{"key":"B46","doi-asserted-by":"publisher","first-page":"265","DOI":"10.3201\/eid1102.040656","article-title":"Rickettsial infection in animals and Brazilian spotted fever endemicity","volume":"11","author":"Sangioni","year":"2005","journal-title":"Emerg Infect Dis."},{"key":"B47","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1186\/s13071-018-2737-4","article-title":"The epidemiology of Rickettsia felis infecting fleas of companion animals in eastern Australia","volume":"11","author":"Teoh YT Hii","year":"2018","journal-title":"Parasit Vect."},{"key":"B48","doi-asserted-by":"publisher","first-page":"7168","DOI":"10.3402\/ehtj.v4i0.7168","article-title":"Rickettsia felis, an emerging flea-transmitted human pathogen","volume":"4","author":"Yazid Abdad","year":"2011","journal-title":"Emerg Health Threats J."},{"key":"B49","doi-asserted-by":"publisher","first-page":"1070","DOI":"10.4269\/ajtmh.24-0265","article-title":"Rocky mountain spotted fever in Mexico: a call to action","volume":"111","author":"\u00c1lvarez-Hern\u00e1ndez","year":"2024","journal-title":"Am J Trop Med Hygiene"},{"key":"B50","first-page":"2043","article-title":"Rickettsia","author":"Liu","year":"2015","journal-title":"Molecular Medical Microbiology"},{"key":"B51","first-page":"5589","article-title":"Rickettsia felis from cat fleas: isolation and culture in a tick-derived cell line","volume-title":"Appl Environ Microbiol.","author":"Pornwiroon","year":"2006"},{"key":"B52","doi-asserted-by":"crossref","first-page":"1590","DOI":"10.1016\/B978-0-323-50934-3.00122-1","article-title":"Cardiovascular Infections (Bacteremia, Endocarditis, Myocarditis, Infectious Pericarditis)","volume-title":"Greene's Infectious Diseases of the Dog and Cat.","author":"Epstein","year":"2021"},{"key":"B53","doi-asserted-by":"publisher","first-page":"2747","DOI":"10.1128\/AAC.46.9.2747-2751.2002","article-title":"Evaluation of antibiotic susceptibilities of three rickettsial species including Rickettsia felis by a quantitative PCR DNA assay","volume":"46","author":"Rolain","year":"2002","journal-title":"Antimicrob Agents Chemother."},{"volume-title":"Diseases of Animals: Diagnosis and Management","year":"2013","author":"Singh","key":"B54"},{"key":"B55","doi-asserted-by":"publisher","first-page":"183","DOI":"10.1038\/nature19764","article-title":"In vitro and ex vivo strategies for intracellular delivery","volume":"538","author":"Stewart","year":"2016","journal-title":"Nature."},{"key":"B56","doi-asserted-by":"publisher","first-page":"505","DOI":"10.3390\/bioengineering11050505","article-title":"Subtractive proteomics and reverse-vaccinology approaches for novel drug target identification and chimeric vaccine development against bartonella henselae strain houston-1","volume":"11","author":"Rahman","year":"2024","journal-title":"Bioengineering."},{"key":"B57","doi-asserted-by":"publisher","first-page":"129","DOI":"10.3390\/vetsci7030129","article-title":"Modeling novel putative drugs and vaccine candidates against tick-borne pathogens: A subtractive proteomics approach","volume":"7","author":"Ali","year":"2020","journal-title":"Vet Sci."},{"key":"B58","doi-asserted-by":"publisher","first-page":"459","DOI":"10.1038\/nrg3922","article-title":"Evolutionary consequences of drug resistance: shared principles across diverse targets and organisms","volume":"16","author":"Hughes","year":"2015","journal-title":"Nat Rev Genet."},{"key":"B59","doi-asserted-by":"publisher","first-page":"8","DOI":"10.3390\/vaccines10010008","article-title":"Prediction of novel drug targets and vaccine candidates against human lice (Insecta), Acari (Arachnida), and their associated pathogens","volume":"10","author":"Ali","year":"2021","journal-title":"Vaccines."},{"key":"B60","doi-asserted-by":"publisher","DOI":"10.29261\/pakvetj\/2024.259","article-title":"Acinetobacter of pigs reveals high multiple drug resistance through genomics and antimicrobial resistance monitoring","author":"Wu","year":"2024","journal-title":"Pak Vet J."},{"key":"B61","doi-asserted-by":"publisher","first-page":"465","DOI":"10.29261\/pakvetj\/2024.162","article-title":"Designing an epitope-based vaccine against bovine viral diarrhea using immuno-informatics","volume":"44","author":"Riaz","year":"2024","journal-title":"Pak Vet J."},{"key":"B62","doi-asserted-by":"publisher","first-page":"1408","DOI":"10.3390\/v16091408","article-title":"Targeting yezo virus structural proteins for multi-epitope vaccine design using immunoinformatics approach","volume":"16","author":"Rahman","year":"2024","journal-title":"Viruses."},{"key":"B63","doi-asserted-by":"publisher","first-page":"3609","DOI":"10.1016\/j.tet.2015.09.069","article-title":"Targeted treatment for bacterial infections: prospects for pathogen-specific antibiotics coupled with rapid diagnostics","volume":"72","author":"Maxson","year":"2016","journal-title":"Tetrahedron."},{"key":"B64","doi-asserted-by":"publisher","first-page":"680","DOI":"10.1093\/bioinformatics\/btq003","article-title":"Suite: a web server for clustering and comparing biological sequences","volume":"26","author":"Huang","year":"2010","journal-title":"Bioinformatics."},{"key":"B65","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1145\/2629691","article-title":"NCBI BLASTP on high-performance reconfigurable computing systems","volume":"7","author":"Mahram","year":"2015","journal-title":"ACM Trans Reconfigur Technol Syst."},{"key":"B66","doi-asserted-by":"crossref","first-page":"63","DOI":"10.1016\/B978-0-323-91806-0.00008-4","article-title":"Essential proteins for the survival of bacteria in hostile environment","author":"Tenguria","year":"2023","journal-title":"Bacterial Survival in the Hostile Environment"},{"key":"B67","doi-asserted-by":"publisher","first-page":"D677","DOI":"10.1093\/nar\/gkaa917","article-title":"DEG 15, an update of the Database of Essential Genes that includes built-in analysis tools","volume":"49","author":"Luo","year":"2021","journal-title":"Nucleic Acids Res."},{"key":"B68","doi-asserted-by":"publisher","first-page":"D353","DOI":"10.1093\/nar\/gkw1092","article-title":"new perspectives on genomes, pathways, diseases and drugs","volume":"45","author":"Kanehisa","year":"2017","journal-title":"Nucleic Acids Res."},{"key":"B69","doi-asserted-by":"publisher","first-page":"D325","DOI":"10.1093\/nar\/gki008","article-title":"VFDB: a reference database for bacterial virulence factors","volume":"33","author":"Chen","year":"2005","journal-title":"Nucleic Acids Res."},{"key":"B70","doi-asserted-by":"publisher","first-page":"212","DOI":"10.1128\/AAC.01310-13","article-title":"ARG-ANNOT, a new bioinformatic tool to discover antibiotic resistance genes in bacterial genomes","volume":"58","author":"Gupta","year":"2014","journal-title":"Antimicrob Agents Chemother"},{"key":"B71","doi-asserted-by":"publisher","first-page":"209","DOI":"10.1016\/S1672-0229(04)02027-3","article-title":"Predicting protein subcellular localization: past, present, and future","volume":"2","author":"D\u00f6nnes","year":"2004","journal-title":"Genom Prot Bioinform."},{"key":"B72","doi-asserted-by":"publisher","first-page":"643","DOI":"10.1002\/prot.21018","article-title":"Prediction of protein subcellular localization","volume":"64","author":"Yu","year":"2006","journal-title":"Proteins: Struct Funct Bioinform."},{"key":"B73","doi-asserted-by":"publisher","first-page":"D638","DOI":"10.1093\/nar\/gkac1000","article-title":"The STRING database in 2023: protein\u2013protein association networks and functional enrichment analyses for any sequenced genome of interest","volume":"51","author":"Szklarczyk","year":"2023","journal-title":"Nucleic Acids Res"},{"key":"B74","doi-asserted-by":"publisher","first-page":"W436","DOI":"10.1093\/nar\/gkq479","article-title":"ProBiS: a web server for detection of structurally similar protein binding sites","volume":"38","author":"Konc","year":"2010","journal-title":"Nucleic Acids Res"},{"key":"B75","doi-asserted-by":"publisher","first-page":"2785","DOI":"10.1002\/jcc.21256","article-title":"Autodock4 and AutoDockTools4: automated docking with selective receptor flexiblity","volume":"16","author":"Morris","year":"2009","journal-title":"J Computational Chemistry."},{"key":"B76","doi-asserted-by":"publisher","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."},{"key":"B77","doi-asserted-by":"publisher","first-page":"4066","DOI":"10.1021\/acs.jmedchem.5b00104","article-title":"pkCSM: predicting small-molecule pharmacokinetic and toxicity properties using graph-based signatures","volume":"58","author":"Pires","year":"2015","journal-title":"J Med Chem."},{"key":"B78","doi-asserted-by":"publisher","first-page":"W5","DOI":"10.1093\/nar\/gkn201","article-title":"a better web interface","volume":"36","author":"Johnson","year":"2008","journal-title":"Nucleic Acids Res."},{"key":"B79","doi-asserted-by":"publisher","first-page":"1471","DOI":"10.1016\/j.addr.2005.04.003","article-title":"Bacterial resistance to antibiotics: modified target sites","volume":"57","author":"Lambert","year":"2005","journal-title":"Adv Drug Deliv Rev."},{"key":"B80","doi-asserted-by":"publisher","first-page":"200","DOI":"10.29261\/pakvetj\/2024.133","article-title":"Comparative prevalence of virulence genes and antibiotic resistance in Campylobacter jejuni isolated from broilers, laying hens and farmers","volume":"44","author":"Shami","year":"","journal-title":"Pak Vet J."},{"key":"B81","first-page":"937","article-title":"Research progress of the resistance to succinate dehydrogenase inhibitors","volume":"24","author":"Yushuai","year":"2022","journal-title":"Chin J Pesticide Sci."},{"key":"B82","doi-asserted-by":"publisher","first-page":"24","DOI":"10.1016\/0005-2728(80)90005-5","article-title":"Interaction between succinate dehydrogenase and ubiquinone-binding protein from succinate-ubiquinone reductase","volume":"593","author":"Yu","year":"1980","journal-title":"Biochimica et Biophysica Acta (BBA)-Bioenergetics."},{"key":"B83","doi-asserted-by":"publisher","first-page":"116476","DOI":"10.1016\/j.bmc.2021.116476","article-title":"The research progress in and perspective of potential fungicides: Succinate dehydrogenase inhibitors","volume":"50","author":"Li","year":"2021","journal-title":"Bioorg Med Chem."},{"key":"B84","first-page":"229","article-title":"Structure and function of succinate dehydrogenase and fumarate reductase","volume-title":"Chemistry and Biochemistry of Flavoenzymes","author":"Ackrell","year":"2019"},{"key":"B85","first-page":"211","article-title":"Succinate dehydrogenase of Saccharomyces cerevisiae\u2013the unique enzyme of TCA cycle\u2013current knowledge and new perspectives","author":"Kregiel","year":"2012","journal-title":"Dehydrogenases"},{"key":"B86","doi-asserted-by":"publisher","first-page":"102164","DOI":"10.1016\/j.redox.2021.102164","article-title":"Mitochondrial iron\u2013sulfur clusters: Structure, function, and an emerging role in vascular biology","volume":"47","author":"Read","year":"2021","journal-title":"Redox Biol."},{"key":"B87","doi-asserted-by":"publisher","first-page":"344","DOI":"10.1016\/j.pbi.2013.02.007","article-title":"Succinate dehydrogenase: the complex roles of a simple enzyme","volume":"16","author":"Huang","year":"2013","journal-title":"Curr Opin Plant Biol."},{"key":"B88","doi-asserted-by":"publisher","first-page":"10","DOI":"10.1128\/microbiolspec.GPP3-0011-2018","article-title":"AVirulence and metabolism","volume":"7","author":"Richardson","year":"2019","journal-title":"Microbiol Spect."},{"key":"B89","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-022-14382-9","article-title":"AlphaFold2 models indicate that protein sequence determines both structure and dynamics","author":"Guo","year":"2022","journal-title":"Scient Rep."},{"key":"B90","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1038\/s41586-024-08416-7","article-title":"Accurate structure prediction of biomolecular interactions with AlphaFold 3","volume":"2024","author":"Abramson","year":"2024","journal-title":"Nature"},{"key":"B91","doi-asserted-by":"publisher","first-page":"11136","DOI":"10.1021\/acs.jpcb.5b02999","article-title":"From Ramachandran maps to tertiary structures of proteins","volume":"119","author":"DasGupta","year":"2015","journal-title":"J Phys Chemistry B."},{"key":"B92","doi-asserted-by":"publisher","first-page":"809","DOI":"10.1021\/acs.accounts.5b00516","article-title":"Protein binding pocket dynamics","volume":"49","author":"Stank","year":"2016","journal-title":"Acc Chem Res."},{"key":"B93","doi-asserted-by":"publisher","first-page":"533","DOI":"10.1038\/nrd.2016.29","article-title":"Small molecules, big targets: drug discovery faces the protein\u2013protein interaction challenge","volume":"15","author":"Scott","year":"2016","journal-title":"Nat Rev Drug Discov."},{"key":"B94","doi-asserted-by":"publisher","first-page":"3595","DOI":"10.1007\/s10904-020-01505-w","article-title":"Synthesis and structural elucidation for new Schiff base complexes; conductance, conformational, MOE-docking and biological studies","volume":"30","author":"Shah","year":"2020","journal-title":"J Inorg Organomet Polym Mater."},{"key":"B95","doi-asserted-by":"publisher","first-page":"117","DOI":"10.1093\/bib\/bbv027","volume":"17","year":"2016","journal-title":"Brief Bioinform."},{"key":"B96","doi-asserted-by":"publisher","first-page":"1691","DOI":"10.1021\/acs.chemrev.7b00305","article-title":"Electrostatic interactions in protein structure, folding, binding, and condensation","volume":"118","author":"Zhou","year":"2018","journal-title":"Chem Rev."},{"key":"B97","doi-asserted-by":"publisher","first-page":"273","DOI":"10.1016\/bs.pmch.2021.01.004","article-title":"Use of molecular docking computational tools in drug discovery","volume":"60","author":"Stanzione","year":"2021","journal-title":"Prog Med Chem."},{"key":"B98","doi-asserted-by":"publisher","first-page":"108339","DOI":"10.1016\/j.jmgm.2022.108339","article-title":"In-depth analysis of the interactions of various aryl hydrocarbon receptor ligands from a computational perspective","volume":"118","author":"Mosa","year":"2023","journal-title":"J Mol Graph Model."},{"key":"B99","doi-asserted-by":"publisher","first-page":"1741","DOI":"10.3390\/molecules24091741","article-title":"New series of thiazole derivatives: synthesis, structural elucidation, antimicrobial activity, molecular modeling and MOE docking","volume":"24","author":"Althagafi","year":"2019","journal-title":"Molecules."},{"key":"B100","doi-asserted-by":"publisher","first-page":"821","DOI":"10.1080\/07391102.2021.2013321","article-title":"Computational binding affinity and molecular dynamic characterization of annonaceous acetogenins at nucleotide binding domain (NBD) of multi-drug resistance ATP-binding cassette sub-family B member 1 (ABCB1)","volume":"41","author":"Manoharan","year":"2023","journal-title":"J Biomol Struct Dynam."},{"key":"B101","doi-asserted-by":"publisher","first-page":"4023","DOI":"10.1007\/s00018-019-03200-7","article-title":"The assembly of succinate dehydrogenase: a key enzyme in bioenergetics","volume":"76","author":"Moosavi","year":"2019","journal-title":"Cellular Mol Life Sci."},{"key":"B102","doi-asserted-by":"crossref","first-page":"39","DOI":"10.1016\/B978-0-12-803620-4.00003-7","article-title":"ADME in drug discovery","volume-title":"A Comprehensive Guide to Toxicology in Nonclinical Drug Development","author":"Vrbanac","year":"2017"},{"key":"B103","doi-asserted-by":"publisher","first-page":"487","DOI":"10.3390\/molecules25030487","article-title":"Predicting the blood-brain barrier permeability of new drug-like compounds via HPLC with various stationary phases","volume":"25","author":"Janicka","year":"2020","journal-title":"Molecules."},{"key":"B104","doi-asserted-by":"publisher","first-page":"34","DOI":"10.1016\/j.addr.2016.04.029","article-title":"Rule of five in 2015 and beyond: Target and ligand structural limitations, ligand chemistry structure and drug discovery project decisions","volume":"101","author":"Lipinski","year":"2016","journal-title":"Adv Drug Deliv Rev."},{"key":"B105","doi-asserted-by":"publisher","first-page":"1","DOI":"10.9734\/ijtdh\/2021\/v42i1130492","article-title":"In silico ADME\/T properties of quinine derivatives using SwissADME and pkCSM webservers","volume":"42","author":"Lohohola","year":"2021","journal-title":"Int J Tropical Disease and Health."},{"key":"B106","doi-asserted-by":"publisher","first-page":"11","DOI":"10.1080\/1062936X.2023.2298452","article-title":"q-RASTR modelling for prediction of diverse toxic chemicals towards T. pyriformis","volume":"35","author":"Ghosh","year":"2024","journal-title":"SAR and QSAR Environm Res"},{"volume-title":"Assessing Antibiotic Safety: A Comparative Study of Four Promising Candidates Using pKCSM Database","year":"2023","author":"Ferrari","key":"B107"},{"key":"B108","doi-asserted-by":"crossref","DOI":"10.1515\/9783111189673","volume-title":"Toxicity: 77 Must-Know Predictions of Organic Compounds: Including Ionic Liquids","author":"Keshavarz","year":"2023"},{"key":"B109","doi-asserted-by":"publisher","first-page":"852","DOI":"10.3390\/ijms24010852","article-title":"Hepatotoxicity of drugs used in multiple sclerosis, diagnostic challenge, and the role of HLA genotype susceptibility","volume":"24","author":"Meunier","year":"2023","journal-title":"Int J Mol Sci."}],"container-title":["Frontiers in Veterinary Science"],"original-title":[],"link":[{"URL":"https:\/\/www.frontiersin.org\/articles\/10.3389\/fvets.2024.1507496\/full","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,16]],"date-time":"2025-01-16T14:01:41Z","timestamp":1737036101000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.frontiersin.org\/articles\/10.3389\/fvets.2024.1507496\/full"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,1,16]]},"references-count":109,"alternative-id":["10.3389\/fvets.2024.1507496"],"URL":"https:\/\/doi.org\/10.3389\/fvets.2024.1507496","relation":{},"ISSN":["2297-1769"],"issn-type":[{"type":"electronic","value":"2297-1769"}],"subject":[],"published":{"date-parts":[[2025,1,16]]},"article-number":"1507496"}}