{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,31]],"date-time":"2026-01-31T06:09:57Z","timestamp":1769839797380,"version":"3.49.0"},"reference-count":59,"publisher":"MDPI AG","issue":"11","license":[{"start":{"date-parts":[[2024,6,5]],"date-time":"2024-06-05T00:00:00Z","timestamp":1717545600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Secretaria de Investigacion y Posgrado del Instituto Politecnico Nacional","award":["20240460"],"award-info":[{"award-number":["20240460"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>Parasitic diseases, predominantly prevalent in developing countries, are increasingly spreading to high-income nations due to shifting migration patterns. The World Health Organization (WHO) estimates approximately 300 million annual cases of giardiasis. The emergence of drug resistance and associated side effects necessitates urgent research to address this growing health concern. In this study, we evaluated over eleven thousand pharmacological compounds sourced from the FDA database to assess their impact on the TATA-binding protein (TBP) of the early diverging protist Giardia lamblia, which holds medical significance. We identified a selection of potential pharmacological compounds for combating this parasitic disease through in silico analysis, employing molecular modeling techniques such as homology modeling, molecular docking, and molecular dynamics simulations. Notably, our findings highlight compounds DB07352 and DB08399 as promising candidates for inhibiting the TBP of Giardia lamblia. Also, these compounds and DB15584 demonstrated high efficacy against trophozoites in vitro. In summary, this study identifies compounds with the potential to combat giardiasis, offering the prospect of specific therapies and providing a robust foundation for future research.<\/jats:p>","DOI":"10.3390\/ijms25116238","type":"journal-article","created":{"date-parts":[[2024,6,5]],"date-time":"2024-06-05T11:50:09Z","timestamp":1717588209000},"page":"6238","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["TATA-Binding Protein-Based Virtual Screening of FDA Drugs Identified New Anti-Giardiasis Agents"],"prefix":"10.3390","volume":"25","author":[{"given":"Carlos","family":"Gaona-L\u00f3pez","sequence":"first","affiliation":[{"name":"Laboratorio de Biotecnolog\u00eda Farmac\u00e9utica, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Reynosa 88710, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Domingo","family":"M\u00e9ndez-\u00c1lvarez","sequence":"additional","affiliation":[{"name":"Laboratorio de Biotecnolog\u00eda Farmac\u00e9utica, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Reynosa 88710, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4100-8255","authenticated-orcid":false,"given":"Adriana","family":"Moreno-Rodr\u00edguez","sequence":"additional","affiliation":[{"name":"Laboratorio de Estudios Epidemiol\u00f3gicos, Cl\u00ednicos, Dise\u00f1os Experimentales e Investigaci\u00f3n, Facultad de Ciencias Qu\u00edmicas, Universidad Aut\u00f3noma \u201cBenito Ju\u00e1rez\u201d de Oaxaca, Oaxaca 68120, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0009-0008-4328-6295","authenticated-orcid":false,"given":"Juan Luis","family":"Bautista-Mart\u00ednez","sequence":"additional","affiliation":[{"name":"Laboratorio de Estudios Epidemiol\u00f3gicos, Cl\u00ednicos, Dise\u00f1os Experimentales e Investigaci\u00f3n, Facultad de Ciencias Qu\u00edmicas, Universidad Aut\u00f3noma \u201cBenito Ju\u00e1rez\u201d de Oaxaca, Oaxaca 68120, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jos\u00e9 Antonio","family":"De Fuentes-Vicente","sequence":"additional","affiliation":[{"name":"Instituto de Ciencias Biol\u00f3gicas, Universidad de Ciencias y Artes de Chiapas, Tuxtla Guti\u00e9rrez 29039, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9564-7066","authenticated-orcid":false,"given":"Benjam\u00edn","family":"Nogueda-Torres","sequence":"additional","affiliation":[{"name":"Departamento de Parasitolog\u00eda, Escuela Nacional de Ciencias Biol\u00f3gicas, Instituto Polit\u00e9cnico Nacional, Ciudad de M\u00e9xico 11340, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Itzhel","family":"Garc\u00eda-Torres","sequence":"additional","affiliation":[{"name":"Laboratorio de Biomol\u00e9culas y Salud Infantil, Instituto Nacional de Pediatr\u00eda, Ciudad de M\u00e9xico 04530, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0470-1069","authenticated-orcid":false,"given":"Gabriel","family":"L\u00f3pez-Vel\u00e1zquez","sequence":"additional","affiliation":[{"name":"Laboratorio de Biomol\u00e9culas y Salud Infantil, Instituto Nacional de Pediatr\u00eda, Ciudad de M\u00e9xico 04530, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9842-4167","authenticated-orcid":false,"given":"Gildardo","family":"Rivera","sequence":"additional","affiliation":[{"name":"Laboratorio de Biotecnolog\u00eda Farmac\u00e9utica, Centro de Biotecnolog\u00eda Gen\u00f3mica, Instituto Polit\u00e9cnico Nacional, Reynosa 88710, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2024,6,5]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"87","DOI":"10.1016\/bs.apar.2023.02.001","article-title":"Food- and Vector-Borne Parasitic Zoonoses: Global Burden and Impacts","volume":"120","author":"Anisuzzaman","year":"2023","journal-title":"Adv. Parasitol."},{"key":"ref_2","doi-asserted-by":"crossref","unstructured":"Pisarski, K. (2019). The Global Burden of Disease of Zoonotic Parasitic Diseases: Top 5 Contenders for Priority Consideration. Trop. Med. Infect. Dis., 4.","DOI":"10.3390\/tropicalmed4010044"},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"1177","DOI":"10.1080\/21505594.2020.1809963","article-title":"The Spreading of Parasites by Human Migratory Activities","volume":"11","author":"Steverding","year":"2020","journal-title":"Virulence"},{"key":"ref_4","doi-asserted-by":"crossref","unstructured":"Hotez, P.J., Aksoy, S., Brindley, P.J., and Kamhawi, S. (2020). World Neglected Tropical Diseases Day. PLoS Negl. Trop. Dis., 14.","DOI":"10.1371\/journal.pntd.0007999"},{"key":"ref_5","doi-asserted-by":"crossref","unstructured":"Lee, S.-M., Kim, M.-S., Hayat, F., and Shin, D. (2019). Recent Advances in the Discovery of Novel Antiprotozoal Agents. Molecules, 24.","DOI":"10.3390\/molecules24213886"},{"key":"ref_6","doi-asserted-by":"crossref","unstructured":"Capela, R., Moreira, R., and Lopes, F. (2019). An Overview of Drug Resistance in Protozoal Diseases. Int. J. Mol. Sci., 20.","DOI":"10.3390\/ijms20225748"},{"key":"ref_7","doi-asserted-by":"crossref","unstructured":"Cernikova, L., Faso, C., and Hehl, A.B. (2018). Five Facts about Giardia lamblia. PLoS Pathog., 14.","DOI":"10.1371\/journal.ppat.1007250"},{"key":"ref_8","doi-asserted-by":"crossref","unstructured":"Lanata, C.F., Fischer-Walker, C.L., Olascoaga, A.C., Torres, C.X., Aryee, M.J., and Black, R.E. (2013). Child Health Epidemiology Reference Group of the World Health Organization and UNICEF Global Causes of Diarrheal Disease Mortality in Children <5 Years of Age: A Systematic Review. PLoS ONE, 8.","DOI":"10.1371\/journal.pone.0072788"},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"203","DOI":"10.1016\/j.pt.2006.02.015","article-title":"Giardia and Cryptosporidium Join the \u201cNeglected Diseases Initiative\u201d","volume":"22","author":"Savioli","year":"2006","journal-title":"Trends Parasitol."},{"key":"ref_10","doi-asserted-by":"crossref","unstructured":"Adam, R.D. (2021). Giardia Duodenalis: Biology and Pathogenesis. Clin. Microbiol. Rev., 34.","DOI":"10.1128\/CMR.00024-19"},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"1885","DOI":"10.1517\/14656566.8.12.1885","article-title":"Giardiasis: A Pharmacotherapy Review","volume":"8","author":"Escobedo","year":"2007","journal-title":"Expert Opin. Pharmacother."},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"265","DOI":"10.1093\/jac\/dkx351","article-title":"Metronidazole: An Update on Metabolism, Structure-Cytotoxicity and Resistance Mechanisms","volume":"73","author":"Dingsdag","year":"2018","journal-title":"J. Antimicrob. Chemother."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"1537","DOI":"10.1101\/gr.2256604","article-title":"Evolution of Eukaryotic Transcription: Insights from the Genome of Giardia lamblia","volume":"14","author":"Best","year":"2004","journal-title":"Genome Res."},{"key":"ref_14","doi-asserted-by":"crossref","unstructured":"Parra-Mar\u00edn, O., L\u00f3pez-Pacheco, K., Hern\u00e1ndez, R., and L\u00f3pez-Villase\u00f1or, I. (2020). The Highly Diverse TATA Box-Binding Proteins among Protists: A Review. Mol. Biochem. Parasitol., 239.","DOI":"10.1016\/j.molbiopara.2020.111312"},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"130","DOI":"10.1111\/cbdd.13630","article-title":"The TATA-binding Protein DNA-binding Domain of Eukaryotic Parasites Is a Potentially Druggable Target","volume":"95","author":"Santiago","year":"2020","journal-title":"Chem. Biol. Drug Des."},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"1788","DOI":"10.1007\/s11686-022-00612-7","article-title":"Ribosomal RNA Transcription Machineries in Intestinal Protozoan Parasites: A Bioinformatic Analysis","volume":"67","year":"2022","journal-title":"Acta Parasitol."},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"14338","DOI":"10.1073\/pnas.0504070102","article-title":"Why Highly Expressed Proteins Evolve Slowly","volume":"102","author":"Drummond","year":"2005","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"169","DOI":"10.1016\/S0378-1119(01)00766-1","article-title":"Extremely Reduced Evolutionary Rate of TATA-Box Binding Protein in Higher Vertebrates and Its Evolutionary Implications","volume":"280","author":"Hoshiyama","year":"2001","journal-title":"Gene"},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"599","DOI":"10.1016\/j.ijpara.2020.12.007","article-title":"Target Acquired: Transcriptional Regulators as Drug Targets for Protozoan Parasites","volume":"51","author":"Walters","year":"2021","journal-title":"Int. J. Parasitol."},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"411","DOI":"10.1042\/BST20180623","article-title":"Transcription Initiation Factor TBP: Old Friend New Questions","volume":"47","author":"Kramm","year":"2019","journal-title":"Biochem. Soc. Trans."},{"key":"ref_21","doi-asserted-by":"crossref","unstructured":"Ferreira, R., Schneekloth, J.S., Panov, K.I., Hannan, K.M., and Hannan, R.D. (2020). Targeting the RNA Polymerase I Transcription for Cancer Therapy Comes of Age. Cells, 9.","DOI":"10.3390\/cells9020266"},{"key":"ref_22","doi-asserted-by":"crossref","unstructured":"Lambert, M., Jambon, S., Depauw, S., and David-Cordonnier, M.-H. (2018). Targeting Transcription Factors for Cancer Treatment. Molecules, 23.","DOI":"10.3390\/molecules23061479"},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"341","DOI":"10.1016\/j.sbi.2009.04.003","article-title":"Advances and Pitfalls of Protein Structural Alignment","volume":"19","author":"Hasegawa","year":"2009","journal-title":"Curr. Opin. Struct. Biol."},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"183","DOI":"10.1007\/978-1-4939-8736-8_10","article-title":"Enhancing Statistical Multiple Sequence Alignment and Tree Inference Using Structural Information","volume":"1851","author":"Herman","year":"2019","journal-title":"Methods Mol. Biol."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"1610","DOI":"10.1016\/j.bmcl.2005.12.029","article-title":"Brequinar Derivatives and Species-Specific Drug Design for Dihydroorotate Dehydrogenase","volume":"16","author":"Hurt","year":"2006","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"667","DOI":"10.1128\/AAC.00618-10","article-title":"High-Throughput Giardia lamblia Viability Assay Using Bioluminescent ATP Content Measurements","volume":"55","author":"Chen","year":"2011","journal-title":"Antimicrob. Agents Chemother."},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"13632","DOI":"10.1073\/pnas.0706290104","article-title":"Mechanism of Inhibition of Bovine F1-ATPase by Resveratrol and Related Polyphenols","volume":"104","author":"Gledhill","year":"2007","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"e13350","DOI":"10.7717\/peerj.13350","article-title":"Polyphenolic Extract from Punica Granatum Peel Causes Cytoskeleton-Related Damage on Giardia lamblia Trophozoites in Vitro","volume":"10","year":"2022","journal-title":"PeerJ"},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"788","DOI":"10.1124\/mol.111.076216","article-title":"Mode of Peroxisome Proliferator-Activated Receptor \u03b3 Activation by Luteolin","volume":"81","author":"Puhl","year":"2012","journal-title":"Mol. Pharmacol."},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"3953","DOI":"10.1021\/jm058173s","article-title":"ERbeta Ligands. 3. Exploiting Two Binding Orientations of the 2-Phenylnaphthalene Scaffold to Achieve ERbeta Selectivity","volume":"48","author":"Mewshaw","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"10022","DOI":"10.1073\/pnas.0702254104","article-title":"Bisphosphonates Target Multiple Sites in Both Cis- and Trans-Prenyltransferases","volume":"104","author":"Guo","year":"2007","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"4584","DOI":"10.1021\/jm010266w","article-title":"Structure of Protein Tyrosine Phosphatase 1B in Complex with Inhibitors Bearing Two Phosphotyrosine Mimetics","volume":"44","author":"Jia","year":"2001","journal-title":"J. Med. Chem."},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"1315","DOI":"10.1016\/j.bmcl.2005.01.023","article-title":"Benzodipyrazoles: A New Class of Potent CDK2 Inhibitors","volume":"15","author":"Bargiotti","year":"2005","journal-title":"Bioorg Med. Chem. Lett."},{"key":"ref_34","first-page":"486","article-title":"Effect of Origanum Vulgare Hydroalcoholic Extract on Giardia lamblia Cysts Compared with Metronidazole in Vitro","volume":"13","author":"Davoodi","year":"2018","journal-title":"Iran. J. Parasitol."},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"3507","DOI":"10.1021\/jm3018783","article-title":"Screening and Structural Analysis of Flavones Inhibiting Tankyrases","volume":"56","author":"Narwal","year":"2013","journal-title":"J. Med. Chem."},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"1582","DOI":"10.1107\/S1399004715010585","article-title":"Structural Evidence for Asymmetric Ligand Binding to Transthyretin","volume":"71","author":"Cianci","year":"2015","journal-title":"Acta Crystallogr. D Biol. Crystallogr."},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"7400","DOI":"10.1021\/acs.jmedchem.5b00893","article-title":"Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids","volume":"58","author":"Yokoyama","year":"2015","journal-title":"J. Med. Chem."},{"key":"ref_38","doi-asserted-by":"crossref","first-page":"1971","DOI":"10.1110\/ps.036186.108","article-title":"Three Flavonoids Targeting the Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase from Helicobacter Pylori: Crystal Structure Characterization with Enzymatic Inhibition Assay","volume":"17","author":"Zhang","year":"2008","journal-title":"Protein Sci."},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"143","DOI":"10.1016\/j.jsb.2012.07.008","article-title":"Flavonoid Interactions with Human Transthyretin: Combined Structural and Thermodynamic Analysis","volume":"180","author":"Trivella","year":"2012","journal-title":"J. Struct. Biol."},{"key":"ref_40","unstructured":"(2023, August 13). DRUGBANK. Available online: https:\/\/go.drugbank.com\/."},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"18","DOI":"10.18632\/oncotarget.212","article-title":"Identification of Kinase Inhibitors That Target Transcription Initiation by RNA Polymerase II","volume":"2","author":"Morachis","year":"2011","journal-title":"Oncotarget"},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"5","DOI":"10.18632\/oncotarget.226","article-title":"Targeting Transcription Through Inhibition of TBP","volume":"2","author":"Schug","year":"2011","journal-title":"Oncotarget"},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"3019","DOI":"10.1007\/s00436-019-06438-z","article-title":"An in Vitro Characterisation of the Trichomonas vaginalis TATA Box-Binding Proteins (TBPs)","volume":"118","author":"Franco","year":"2019","journal-title":"Parasitol. Res."},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"669","DOI":"10.1038\/s41573-021-00199-0","article-title":"Advances in targeting \u2018undruggable\u2019 transcription factors with small molecules","volume":"20","author":"Henley","year":"2021","journal-title":"Nat. Rev. Drug Discov."},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"D439","DOI":"10.1093\/nar\/gkab1061","article-title":"AlphaFold Protein Structure Database: Massively Expanding the Structural Coverage of Protein-Sequence Space with High-Accuracy Models","volume":"50","author":"Varadi","year":"2022","journal-title":"Nucleic Acids Res."},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"583","DOI":"10.1038\/s41586-021-03819-2","article-title":"Highly Accurate Protein Structure Prediction with AlphaFold","volume":"596","author":"Jumper","year":"2021","journal-title":"Nature"},{"key":"ref_47","doi-asserted-by":"crossref","first-page":"2074","DOI":"10.1093\/bioinformatics\/bts310","article-title":"DoGSiteScorer: A Web Server for Automatic Binding Site Prediction, Analysis and Druggability Assessment","volume":"28","author":"Volkamer","year":"2012","journal-title":"Bioinformatics"},{"key":"ref_48","doi-asserted-by":"crossref","first-page":"417","DOI":"10.1002\/prot.22154","article-title":"Improving Accuracy and Efficiency of Blind Protein-Ligand Docking by Focusing on Predicted Binding Sites","volume":"74","author":"Ghersi","year":"2009","journal-title":"Proteins"},{"key":"ref_49","first-page":"1729","article-title":"Efficient Docking of Peptides to Proteins without Prior Knowledge of the Binding Site","volume":"11","year":"2009","journal-title":"Protein Sci."},{"key":"ref_50","doi-asserted-by":"crossref","first-page":"1605","DOI":"10.1002\/jcc.20084","article-title":"UCSF Chimera? A Visualization System for Exploratory Research and Analysis","volume":"25","author":"Pettersen","year":"2004","journal-title":"J. Comput. Chem."},{"key":"ref_51","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."},{"key":"ref_52","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1016\/S1056-8719(00)00107-6","article-title":"Drug-like Properties and the Causes of Poor Solubility and Poor Permeability","volume":"44","author":"Lipinski","year":"2000","journal-title":"J. Pharmacol. Toxicol. Methods"},{"key":"ref_53","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."},{"key":"ref_54","doi-asserted-by":"crossref","first-page":"3891","DOI":"10.1021\/acs.jcim.1c00203","article-title":"AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings","volume":"61","author":"Eberhardt","year":"2021","journal-title":"J. Chem. Inf. Model."},{"key":"ref_55","doi-asserted-by":"crossref","first-page":"W530","DOI":"10.1093\/nar\/gkab294","article-title":"PLIP 2021: Expanding the Scope of the Protein-Ligand Interaction Profiler to DNA and RNA","volume":"49","author":"Adasme","year":"2021","journal-title":"Nucleic Acids Res."},{"key":"ref_56","doi-asserted-by":"crossref","first-page":"1701","DOI":"10.1002\/jcc.20291","article-title":"GROMACS: Fast, Flexible, and Free","volume":"26","author":"Lindahl","year":"2005","journal-title":"J. Comput. Chem."},{"key":"ref_57","doi-asserted-by":"crossref","unstructured":"Sousa da Silva, A.W., and Vranken, W.F. (2012). ACPYPE\u2014AnteChamber PYthon Parser InterfacE. BMC Res. Notes, 5.","DOI":"10.1186\/1756-0500-5-367"},{"key":"ref_58","doi-asserted-by":"crossref","first-page":"1951","DOI":"10.1021\/ci500020m","article-title":"g_mmpbsa\u2014A GROMACS Tool for High-Throughput MM-PBSA Calculations","volume":"54","author":"Kumari","year":"2014","journal-title":"J. Chem. Inf. Model."},{"key":"ref_59","doi-asserted-by":"crossref","first-page":"7072","DOI":"10.1128\/AAC.02900-14","article-title":"Giardial triosephosphate isomerase as possible target of the cytotoxic effect of omeprazole in Giardia lamblia","volume":"58","year":"2014","journal-title":"Antimicrob. Agents Chemother."}],"container-title":["International Journal of Molecular Sciences"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/1422-0067\/25\/11\/6238\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T14:54:19Z","timestamp":1760108059000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/1422-0067\/25\/11\/6238"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,6,5]]},"references-count":59,"journal-issue":{"issue":"11","published-online":{"date-parts":[[2024,6]]}},"alternative-id":["ijms25116238"],"URL":"https:\/\/doi.org\/10.3390\/ijms25116238","relation":{},"ISSN":["1422-0067"],"issn-type":[{"value":"1422-0067","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,6,5]]}}}