{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,10]],"date-time":"2026-06-10T14:11:46Z","timestamp":1781100706696,"version":"3.54.1"},"reference-count":62,"publisher":"MDPI AG","issue":"14","license":[{"start":{"date-parts":[[2025,7,16]],"date-time":"2025-07-16T00:00:00Z","timestamp":1752624000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"National Research Foundation of Ukraine","award":["2023.03\/0176"],"award-info":[{"award-number":["2023.03\/0176"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>This study focuses on the search for new effective synthetic antimicrobial compounds as a tool against the widespread presence of microorganisms resistant to existing drugs. Five derivatives of [1,3]thiazolo[3,2-b][1,2,4]triazoles were synthesized using an accessible protocol based on electrophilic heterocyclization and were characterized using infrared (FTIR) and nuclear magnetic resonance (NMR) spectroscopies, and their in vitro antimicrobial and antifungal activities were evaluated using the agar plate diffusion method and the microdilution plate procedure. Both antibacterial (Gram-positive and Gram-negative) and antifungal activities were found for the examined samples. The minimum inhibitory concentration (MIC) varied from 0.97 to 250 \u00b5g\/mL, and the minimum bactericidal concentration (MBC) from 1.95 to 500 \u00b5g\/mL. Compound 2a showed good antifungal action against Candida albicans and Saccharomyces cerevisiae with minimum fungicidal concentration (MFC) 125 and MIC 31.25 \u00b5g\/mL. The molecular docking revealed that the 2-heptyl-3-phenyl-6,6-trimethyl-5,6-dihydro-3H-[1,3]thiazolo[3,2-b][1,2,4]triazol-7-ium cation stands out as a highly promising candidate for further investigation due to a wide range of interactions, including conventional hydrogen bonds, \u03c0\u2013\u03c3, \u03c0\u2013\u03c0 T-shaped, and hydrophobic alkyl interactions. The synthesis and preliminary evaluation of [1,3]thiazolo[3,2-b][1,2,4]triazoles yielded promising antimicrobial and antifungal candidates. The diverse interaction profile of the 2-heptyl derivative salt allows this compound\u2019s selection for further biological studies.<\/jats:p>","DOI":"10.3390\/ijms26146845","type":"journal-article","created":{"date-parts":[[2025,7,16]],"date-time":"2025-07-16T15:48:22Z","timestamp":1752680902000},"page":"6845","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["[1,3]Thiazolo[3,2-b][1,2,4]triazolium Salts as Effective Antimicrobial Agents: Synthesis, Biological Activity Evaluation, and Molecular Docking Studies"],"prefix":"10.3390","volume":"26","author":[{"given":"Mykhailo","family":"Slivka","sequence":"first","affiliation":[{"name":"Educational Scientific Institute of Chemistry and Ecology, Uzhhorod National University, Fedyntsa Str. 53\/1, 88000 Uzhhorod, Ukraine"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3934-7525","authenticated-orcid":false,"given":"Boris","family":"Sharga","sequence":"additional","affiliation":[{"name":"Faculty of Biology, Uzhhorod National University, Voloshyna Str. 32, 88000 Uzhhorod, Ukraine"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Daryna","family":"Pylypiv","sequence":"additional","affiliation":[{"name":"Faculty of Medicine, Uzhhorod National University, Narodna Sq. 1, 88000 Uzhhorod, Ukraine"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1659-1699","authenticated-orcid":false,"given":"Hanna","family":"Aleksyk","sequence":"additional","affiliation":[{"name":"Educational Scientific Institute of Chemistry and Ecology, Uzhhorod National University, Fedyntsa Str. 53\/1, 88000 Uzhhorod, Ukraine"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7155-1676","authenticated-orcid":false,"given":"Nataliya","family":"Korol","sequence":"additional","affiliation":[{"name":"Educational Scientific Institute of Chemistry and Ecology, Uzhhorod National University, Fedyntsa Str. 53\/1, 88000 Uzhhorod, Ukraine"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6583-3159","authenticated-orcid":false,"given":"Maksym","family":"Fizer","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Nevada, Reno, 1664 N. 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(2023). Joining Forces against Antibiotic Resistance: The One Health Solution. Pathogens, 12.","DOI":"10.3390\/pathogens12091074"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"106543","DOI":"10.1016\/j.micpath.2024.106543","article-title":"Role of small molecules and nanoparticles in effective inhibition of microbial biofilms: A ray of hope in combating microbial resistance","volume":"188","author":"Gattu","year":"2024","journal-title":"Microb. Pathog."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"2905","DOI":"10.1007\/s11845-023-03401-x","article-title":"War in Ukraine: Incursion of antimicrobial resistance","volume":"192","author":"Faustova","year":"2023","journal-title":"Ir. J. Med. Sci."},{"key":"ref_4","doi-asserted-by":"crossref","unstructured":"Marinescu, M. (2023). Benzimidazole-Triazole Hybrids as Antimicrobial and Antiviral Agents: A Systematic Review. Antibiotics, 12.","DOI":"10.20944\/preprints202307.0093.v1"},{"key":"ref_5","doi-asserted-by":"crossref","unstructured":"Ambade, S.S., Gupta, V.K., Bhole, R.P., Khedekar, P.B., and Chikhale, R.V. (2023). A Review on Five and Six-Membered Heterocyclic Compounds Targeting the Penicillin-Binding Protein 2 (PBP2A) of Methicillin-Resistant Staphylococcus aureus (MRSA). Molecules, 28.","DOI":"10.20944\/preprints202309.0856.v1"},{"key":"ref_6","doi-asserted-by":"crossref","unstructured":"Hryhoriv, H., Kovalenko, S.M., Georgiyants, M., Sidorenko, L., and Georgiyants, V. (2023). A Comprehensive Review on Chemical Synthesis and Chemotherapeutic Potential of 3-Heteroaryl Fluoroquinolone Hybrids. Antibiotics, 12.","DOI":"10.3390\/antibiotics12030625"},{"key":"ref_7","doi-asserted-by":"crossref","unstructured":"Rusu, A., Moga, I.-M., Uncu, L., and Hancu, G. (2023). The Role of Five-Membered Heterocycles in the Molecular Structure of Antibacterial Drugs Used in Therapy. Pharmaceutics, 15.","DOI":"10.3390\/pharmaceutics15112554"},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"115603","DOI":"10.1016\/j.ejmech.2023.115603","article-title":"Recent advances in 1,2,3- and 1,2,4-triazole hybrids as antimicrobials and their SAR: A critical review","volume":"259","author":"Tian","year":"2023","journal-title":"Eur. J. Med. Chem."},{"key":"ref_9","doi-asserted-by":"crossref","unstructured":"Ungureanu, D., Tiperciuc, B., Nastas\u0103, C., Ionu\u021b, I., Marc, G., Oniga, I., and Oniga, O. (2024). An Overview of the Structure\u2013Activity Relationship in Novel Antimicrobial Thiazoles Clubbed with Various Heterocycles (2017\u20132023). Pharmaceutics, 16.","DOI":"10.3390\/pharmaceutics16010089"},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"3236","DOI":"10.1002\/jhet.4044","article-title":"Fused bicyclic 1,2,4-triazoles with one extra sulfur atom: Synthesis, properties, and biological activity","volume":"57","author":"Slivka","year":"2020","journal-title":"J. Heterocycl. Chem."},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"852","DOI":"10.1007\/s10593-017-2136-3","article-title":"Recent progress in the synthesis of thiazolo[3,2-b][1,2,4]triazoles (microreview)","volume":"53","author":"Korol","year":"2017","journal-title":"Chem. Heterocycl. Compd."},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"100044","DOI":"10.1016\/j.tgchem.2024.100044","article-title":"The Ugi reaction as the green alternative towards active pharmaceutical ingredients","volume":"3","author":"Fotopoulou","year":"2024","journal-title":"Tetrahedron Green Chem"},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"e202300306","DOI":"10.1002\/open.202300306","article-title":"Relevant Developments in the Use of Three-Component Reactions for the Total Synthesis of Natural Products. The last 15 Years","volume":"13","author":"Larghi","year":"2024","journal-title":"ChemistryOpen"},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"386","DOI":"10.1007\/s10593-023-03207-w","article-title":"Heterocycles on the crest of microwaves and ultrasonics in the Institute for Single Crystals of National Academy of Sciences of Ukraine: Chemistry and history","volume":"59","author":"Chebanov","year":"2023","journal-title":"Chem. Heterocycl. Compd."},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"3497","DOI":"10.1055\/s-0040-1706036","article-title":"The use of electrophilic cyclization for the preparation of condensed heterocycles","volume":"53","author":"Slivka","year":"2021","journal-title":"Synthesis"},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"4986","DOI":"10.1039\/C6OB00835F","article-title":"Homogeneous rhodium(i)-catalysis in: De novo heterocycle syntheses","volume":"14","author":"Neuhaus","year":"2016","journal-title":"Org. Biomol. Chem."},{"key":"ref_17","doi-asserted-by":"crossref","unstructured":"Frecentese, F., Sodano, F., Corvino, A., Schiano, M.E., Magli, E., Albrizio, S., Sparaco, R., Andreozzi, G., Nieddu, M., and Rimoli, M.G. (2023). The Application of Microwaves, Ultrasounds, and Their Combination in the Synthesis of Nitrogen-Containing Bicyclic Heterocycles. Int. J. Mol. Sci., 24.","DOI":"10.3390\/ijms241310722"},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"160","DOI":"10.2174\/2213337210666230626105521","article-title":"Water Mediated Green Method Synthesis of Bioactive Heterocyclic Reported Between 2012\u20132021 Accelerated by Microwave Irradiation: A Decennary Update","volume":"10","author":"Kamanna","year":"2023","journal-title":"Curr. Organocatalysis"},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"2458","DOI":"10.1002\/ejoc.201800027","article-title":"Synthesis of 3-iodobenzofurans by electrophilic cyclization under solventless conditions in a ball mill","volume":"20\u201321","author":"Mantovani","year":"2018","journal-title":"Eur. J. Org. Chem."},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"109","DOI":"10.1515\/hc-2016-0233","article-title":"Regio- and stereoselective synthesis of [1,3]thiazolo[3,2-b][1,2,4]triazol-7-ium salts via electrophilic heterocyclization of 3-S-propargylthio-4H-1,2,4-triazoles and their antimicrobial activity","volume":"23","author":"Slivka","year":"2017","journal-title":"Heterocycl. Commun."},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"791","DOI":"10.2174\/1570180819666220110145659","article-title":"Synthesis and Antimicrobial Activity of Functional Derivatives of thiazolo[2,3-c][1,2,4]triazoles","volume":"19","author":"Slivka","year":"2022","journal-title":"Lett. Drug Des. Discov."},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"197","DOI":"10.1515\/hc-2018-0048","article-title":"Thiazolo[3,2-b][1,2,4]triazol-7-ium salts: Synthesis, properties and structural studies","volume":"24","author":"Slivka","year":"2018","journal-title":"Heterocycl. Commun."},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"2490","DOI":"10.2174\/1570180820666230726160348","article-title":"Antimicrobial Activity of Halogen- and Chalcogen-Functionalized Thiazoloquinazolines","volume":"21","author":"Kut","year":"2024","journal-title":"Lett. Drug Des. Discov."},{"key":"ref_24","doi-asserted-by":"crossref","unstructured":"Khattab, S.M., Altowyan, M.S., El-Faham, A., Barakat, A., Haukkaorsy, M., Abu-Youssef, M.A.M., and Soliman, S.M. (2024). A New Bromo-Mn(II) Complex with 1,3,5-Triazine Derivative: Synthesis, Crystal Structure, DFT and Biological Studies. Inorganics, 12.","DOI":"10.3390\/inorganics12110284"},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"102078","DOI":"10.1016\/j.rechem.2025.102078","article-title":"Structural study, optical properties, thermal stability, and biological activity of a non-centrosymmetric hybrid compound 3,4-Diaminopyridinium perchlorate (3,4-DAPP)","volume":"14","author":"Mtar","year":"2025","journal-title":"Results Chem."},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"237","DOI":"10.1016\/j.micres.2010.11.005","article-title":"Dissimilatory perchlorate reduction: A review","volume":"166","author":"Bardiya","year":"2011","journal-title":"Microbiol. Res."},{"key":"ref_27","doi-asserted-by":"crossref","unstructured":"V\u00e1vrov\u00e1, S., Struh\u00e1r\u0148ansk\u00e1, E., Tur\u0148a, J., and Stuchl\u00edk, S. (2021). Tellurium: A Rare Element with Influence on Prokaryotic and Eukaryotic Biological Systems. Int. J. Mol. Sci., 22.","DOI":"10.3390\/ijms22115924"},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"128973","DOI":"10.1016\/j.molstruc.2020.128973","article-title":"Identifying and explaining the regioselectivity of alkylation of 1,2,4-triazole-3-thiones using NMR, GIAO and DFT methods","volume":"1223","author":"Fizer","year":"2021","journal-title":"J. Mol. Struct."},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"13885","DOI":"10.33263\/BRIAC116.1388513892","article-title":"Synthetic strategy and structure characterization of a new [1,3]thiazolo[3,2-b][1,2,4]triazolium cationic surfactant","volume":"11","author":"Fizer","year":"2021","journal-title":"Biointerface Res. Appl. Chem."},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"122044","DOI":"10.1016\/j.jorganchem.2021.122044","article-title":"Efficient synthesis of substituted [1,3]thiazolo[3,2-b][1,2,4]triazol-7-ium hexabromotellurates","volume":"952","author":"Fizer","year":"2021","journal-title":"J. Organomet. Chem."},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"136632","DOI":"10.1016\/j.molstruc.2023.136632","article-title":"New 2-amino-[1,3]thiazolo[3,2-b][1,2,4]triazol-7-ium hexabromotellurates: Experimental and computational structural studies","volume":"1295","author":"Fizer","year":"2024","journal-title":"J. Mol. Struct."},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"120659","DOI":"10.1016\/j.molliq.2022.120659","article-title":"On the structure of cetylpyridinium perchlorate: A combined XRD, NMR, IR and DFT study","volume":"368","author":"Fizer","year":"2022","journal-title":"J. Mol. Liq."},{"key":"ref_33","unstructured":"CLSI (2018). Method for Antifungal Disk Diffusion Susceptibility Testing of Yeasts, Clinical and Laboratory Standards Institute. [3rd ed.]. Available online: https:\/\/clsi.org\/media\/2634\/m44ed3_sample.pdf."},{"key":"ref_34","doi-asserted-by":"crossref","unstructured":"Krau\u00df, J., M\u00fcller, C., Klimt, M., Valero, L.J., Mart\u00ednez, J.F., M\u00fcller, M., Bartel, K., Binder, U., and Bracher, F. (2021). Synthesis, Biological Evaluation, and Structure\u2013Activity Relationships of 4-Aminopiperidines as Novel Antifungal Agents Targeting Ergosterol Biosynthesis. Molecules, 26.","DOI":"10.3390\/molecules26237208"},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"124","DOI":"10.1016\/j.ejmech.2017.02.035","article-title":"New Azole Derivatives Showing Antimicrobial Effects and Their Mechanism of Antifungal Activity by Molecular Modeling Studies","volume":"130","author":"Sari","year":"2017","journal-title":"Eur. J. Med. Chem."},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"1135","DOI":"10.1016\/S0140-6736(02)08162-X","article-title":"Antifungal drug resistance of pathogenic fungi","volume":"359","author":"Kontoyiannis","year":"2002","journal-title":"Lancet"},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"938","DOI":"10.1086\/500939","article-title":"Amphotericin B and caspofungin resistance in Candida glabrata isolates recovered from a critically ill patient","volume":"42","author":"Arendrup","year":"2006","journal-title":"Clin. Infect. Dis."},{"key":"ref_38","doi-asserted-by":"crossref","first-page":"792","DOI":"10.1016\/j.cmi.2019.03.028","article-title":"Resistance of Candida to azoles and echinocandins worldwide","volume":"25","author":"Pristov","year":"2019","journal-title":"Clin. Microbiol. Infect."},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"1559","DOI":"10.1086\/497832","article-title":"Invasive Saccharomyces Infection: A Comprehensive Review","volume":"41","author":"Hennequin","year":"2005","journal-title":"Clin. Infect. Dis."},{"key":"ref_40","doi-asserted-by":"crossref","unstructured":"Steigenberger, J., Verleysen, Y., Geudens, N., Martins, J.C., and Heerklotz, H. (2021). The Optimal Lipid Chain Length of a Membrane-Permeabilizing Lipopeptide Results From the Balance of Membrane Partitioning and Local Damage. Front. Microbiol., 12.","DOI":"10.3389\/fmicb.2021.669709"},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"225","DOI":"10.1016\/j.ejmech.2019.03.023","article-title":"Tetrazole Hybrids and Their Antifungal Activities","volume":"170","author":"Wang","year":"2019","journal-title":"Eur. J. Med. Chem."},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"239","DOI":"10.1021\/acsmedchemlett.3c00460","article-title":"Development of Novel Membrane-Disrupting Lipoguanidine Compounds Sensitizing Gram-Negative Bacteria to Antibiotics","volume":"15","author":"Kim","year":"2024","journal-title":"ACS Med. Chem. Lett."},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1038\/s44259-023-00016-1","article-title":"Tackling the outer membrane: Facilitating compound entry into Gram-negative bacterial pathogens","volume":"1","author":"Saxena","year":"2023","journal-title":"npj Antimicrob Resist."},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"84","DOI":"10.1038\/s42004-024-01161-y","article-title":"Predicting Permeation of Compounds across the Outer Membrane of Pseudomonas aeruginosa Using Molecular Descriptors","volume":"7","author":"Manrique","year":"2024","journal-title":"Commun. Chem."},{"key":"ref_45","unstructured":"(2024, December 02). ADMETlab 3.0. Available online: https:\/\/admetlab3.scbdd.com\/server\/evaluation."},{"key":"ref_46","unstructured":"Arendrup, M.C., Meletiadis, J., Mouton, J.W., Lagrou, K., Hamal, P., Guinea, J., and Subcommittee on Antifungal Susceptibility Testing (AFST) of the ESCMID, European Committee for Antimicrobial Susceptibility Testing (EUCAST) (2024, February 16). Method for the Determination of Broth Dilution Minimum Inhibitory Concentrations of Antifungal Agents for Yeasts. EUCAST E. Def 7.4 October 2023. Available online: https:\/\/www.eucast.org\/fileadmin\/src\/media\/PDFs\/EUCAST_files\/AFST\/Files\/EUCAST_E.Def_7.4_Yeast_definitive_revised_2023.pdf."},{"key":"ref_47","first-page":"1215","article-title":"Description de quelques \u00e9preuves simples permettant de distinguer les bact\u00e9riocines sensu-stricto des autres agents antibact\u00e9riens produits par les bact\u00e9ries","volume":"285","author":"Hamon","year":"1977","journal-title":"C.R. Acad. Sci. Paris Ser. D"},{"key":"ref_48","doi-asserted-by":"crossref","first-page":"e0096823","DOI":"10.1128\/aac.00968-23","article-title":"Antifungal susceptibility testing following the CLSI M27 document, along with the measurement of MFC\/MIC ratio, could be the optimal approach to detect amphotericin B resistance in Clavispora (Candida) lusitaniae. Susceptibility patterns of contemporary isolates of this species","volume":"68","author":"Sasoni","year":"2024","journal-title":"Antimicrob. Agents Chemother."},{"key":"ref_49","unstructured":"CLSI (2012). Methods for Dilution Antimicrobial Susceptibility Tests for Bacteria that Grow Aerobically, Approved Standard, Clinical and Laboratory Standards Institute. [11th ed.]. Available online: https:\/\/clsi.org\/media\/1928\/m07ed11_sample.pdf."},{"key":"ref_50","doi-asserted-by":"crossref","first-page":"2330","DOI":"10.1128\/AAC.01491-05","article-title":"Daptomycin bactericidal activity and correlation between disk and broth microdilution method results in testing of Staphylococcus aureus strains with decreased susceptibility to vancomycin","volume":"50","author":"Sader","year":"2006","journal-title":"Antimicrob. Agents Chemother."},{"key":"ref_51","doi-asserted-by":"crossref","first-page":"1107","DOI":"10.1093\/jac\/dkl393","article-title":"Bactericidal agents in the treatment of MRSA infections\u2014The potential role of daptomycin","volume":"58","author":"French","year":"2006","journal-title":"J. Antimicrob. Chemother."},{"key":"ref_52","doi-asserted-by":"crossref","first-page":"5648","DOI":"10.1063\/1.464913","article-title":"Density-functional thermochemistry. III. The role of exact exchange","volume":"98","author":"Becke","year":"1993","journal-title":"J. Chem. Phys."},{"key":"ref_53","doi-asserted-by":"crossref","first-page":"3297","DOI":"10.1039\/b508541a","article-title":"Balanced Basis Sets of Split Valence, Triple Zeta Valence and Quadruple Zeta Valence Quality for H to Rn: Design and Assessment of Accuracy","volume":"7","author":"Weigend","year":"2005","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref_54","doi-asserted-by":"crossref","first-page":"295","DOI":"10.1007\/s00214-010-0846-z","article-title":"Minimally augmented Karlsruhe basis sets","volume":"128","author":"Zheng","year":"2011","journal-title":"Theor. Chem. Acc."},{"key":"ref_55","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","article-title":"Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density","volume":"37","author":"Lee","year":"1988","journal-title":"Phys. Rev. B"},{"key":"ref_56","doi-asserted-by":"crossref","first-page":"e1606","DOI":"10.1002\/wcms.1606","article-title":"Software update: The ORCA program system\u2014Version 5.0","volume":"12","author":"Frank","year":"2022","journal-title":"Wiley Interdiscip. Rev. Comput. Mol. Sci."},{"key":"ref_57","doi-asserted-by":"crossref","first-page":"456","DOI":"10.1021\/acs.jctc.8b00439","article-title":"Improving Vibrational Mode Interpretation Using Bayesian Regression","volume":"15","author":"Teixeira","year":"2019","journal-title":"Chem. Theory Comput."},{"key":"ref_58","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_59","unstructured":"The Scripps Research Institute (2021, July 20). AutoDock Vina (version 1.2.0); San Diego, CA, USA. Available online: https:\/\/vina.scripps.edu\/."},{"key":"ref_60","unstructured":"Dassault Syst\u00e8mes BIOVIA (2021, December 21). Discovery Studio Visualizer, Release 2021, Dassault Syst\u00e8mes, San Diego, CA, USA. Available online: https:\/\/discover.3ds.com\/discovery-studio-visualizer-download."},{"key":"ref_61","unstructured":"Hyperchem, Inc. (2022, May 05). Gainesville, FL, USA. Available online: http:\/\/www.hypercubeusa.com\/."},{"key":"ref_62","unstructured":"(2023, May 05). BIOVIA Discovery Studio, Dassault Syst\u00e8mes, France. 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