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Novel Thiadiazole-Based Molecules as Promising Inhibitors of Black Fungi and Pathogenic Bacteria: In Vitro Antimicrobial Evaluation and Molecular Docking Studies

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Design, Synthesis, and Biological Evaluation of Dual-Target COX-2/CYP51 Inhibitors for the Treatment of Fungal Infectious Diseases

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Gallic Acid Ameliorates Aspergillus Fumigatus Keratitis Through Reducing Fungal Load and Suppressing the Inflammatory Response

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Large-scale genome mining allows identification of neutral polymorphisms and novel resistance mutations in genes involved in Candida albicans resistance to azoles and echinocandins

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Binding of a physiological substrate causes large-scale conformational reorganization in cytochrome P450 51

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Improving the metabolic stability of antifungal compounds based on a scaffold hopping strategy: Design, synthesis, and structure-activity relationship studies of dihydrooxazole derivatives

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Construction and activity evaluation of novel benzodioxane derivatives as dual-target antifungal inhibitors

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Antifungal activity and molecular mechanisms of mulberrin derivatives against Colletotrichum gloeosporioides for mango storage

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New 1,5 and 2,5-disubstituted tetrazoles-dependent activity towards surface barrier of Candida albicans

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The binding mechanism between azoles and FgCYP51B, sterol 14α‐demethylase of Fusarium graminearum

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Identification of novel and potent triazoles targeting CYP51 for antifungal: Design, synthesis, and biological study

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Design, synthesis, in vitro and in silico studies of 1,2,3-triazole incorporated tetrazoles as potent antitubercular agents

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The evaluation of the overexpression of theERG‐11,MDR‐1,CDR‐1, andCDR‐2genes in fluconazole‐resistantCandida albicansisolated from Ahvazian cancer patients with oral candidiasis

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Synthesis, Antifungal Ergosterol Inhibition, Antibiofilm Activities, and Molecular Docking on β-Tubulin and Sterol 14-Alpha Demethylase along with DFT-Based Quantum Mechanical Calculation of Pyrazole Containing Fused Pyridine–Pyrimidine Derivatives

Desai, N. C., Khasiya, A. G., Jadeja, D. J., Monapara, J. D., Jethawa, A. M., Dave, B. P., Sivan, S. K., Manga, V., Mhaske, P. C., & Chaudhary, D. R. (2023) · ACS Omega · doi:10.1021/acsomega.3c01722 · Cited by 23

Identification of Potent and Selective Inhibitors of Acanthamoeba : Structural Insights into Sterol 14α-Demethylase as a Key Drug Target

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Syntheses of Novel 4-Substituted N-(5-amino-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide Derivatives with Potential Antifungal Activity

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Synthesis, Optimization, Antifungal Activity, Selectivity, and CYP51 Binding of New 2-Aryl-3-azolyl-1-indolyl-propan-2-ols

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Crystal structure, DFT, antimicrobial, anticancer and molecular docking of (4E)-4-((aryl)methyleneamino)-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one

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The Anti-Virulence Effect of Vismia guianensis against Candida albicans and Candida glabrata

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New miconazole-based azoles derived from eugenol show activity against Candida spp. and Cryptococcus gattii by inhibiting the fungal ergosterol biosynthesis

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Novel biologically active polyurea derivatives and its TiO2-doped nanocomposites

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Synthesis, structural characterization, biological activity, and theoretical studies of some novel thioether‐bridged 2, 6‐disubstituted imidazothiadiazole analogues

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Characterisation of Candida parapsilosis CYP51 as a Drug Target Using Saccharomyces cerevisiae as Host

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Novel Aryl Alkamidazole Derivatives as Multifunctional Antifungal Inhibitors: Design, Synthesis, and Biological Evaluation

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The development of thymol–isatin hybrids as broad-spectrum antibacterial agents with potent anti-MRSA activity

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Structure-based virtual screening and ADME/T-based prediction analysis for the discovery of novel antifungal CYP51 inhibitors

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Antibacterial azole derivatives: Antibacterial activity, cytotoxicity, and in silico mechanistic studies

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The Effects of Tormentic Acid and Extracts from Callistemon citrinus on Candida albicans and Candida tropicalis Growth and Inhibition of Ergosterol Biosynthesis in Candida albicans

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Acremocholone, an Anti‐Vibrio Steroid from the Marine Mesophotic Zone Ciocalypta Sponge‐Associated Fungus Acremonium sp. NBUF150

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Novel linezolid-based oxazolidinones as potent anticandidiasis and antitubercular agents

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Discovery of Novel Orally Bioavailable Triazoles with Potent and Broad-Spectrum Antifungal Activity In Vitro and In Vivo

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Antioxidant activity and enzymatic of lichen substances: A study based on cyclic voltammetry and theoretical

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Antifungal activity of ginsenoside CK against Botrytis cinerea by targeting sterol 14α-demethylase cytochrome P450 (CYP51) and the application on cherry tomato preservation

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Rational Design of New Monoterpene-Containing Azoles and Their Antifungal Activity

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Sertraline Has Fungicidal Activity Against Candida Spp. and Acts by Inhibiting Membrane and Cell Wall Biosynthesis

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Microwave assisted green synthesis, Single crystal XRD, DFT, Hirshfeld surface analysis, Antibiofilm, Anti-inflammatory activity and Molecular docking study of 4-(4-Fluorophenyl)-5-methyl-1,3-thiazole-2-amine

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Cationic RuII Cyclopentadienyl Complexes with Antifungal Activity against Several Candida Species

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Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors

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Construction and activity evaluation of novel dual-target (SE/CYP51) anti-fungal agents containing amide naphthyl structure

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Design, Synthesis and Antifungal Activity of Benzofuran and Its Analogues

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Azole derivatives with naphthalene showing potent antifungal effects against planktonic and biofilm forms of Candida spp.: an in vitro and in silico study

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In Vitro and In Silico Analysis of Ascorbic Acid Towards Lanosterol 14-α-Demethylase Enzyme of Fluconazole-Resistant Candida albicans

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Structural insights into impact of Y134F mutation and discovery of novel fungicidal compounds against CYP51 in Puccinia triticina

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Comparative cytotoxic effects of five commonly used triazole alcohol fungicides on human cells of different tissue types

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Integration of bimetallic organic frameworks and magnetic biochar for azole fungicides removal

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Insight into the phytochemical profile and antimicrobial activities of Amomum subulatum and Amomum xanthioides: an in vitro and in silico study

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Innovations in Antifungal Drug Discovery among Cell Envelope Synthesis Enzymes through Structural Insights

Zhou, Y., & Reynolds, T. B. (2024) · Journal of Fungi · doi:10.3390/jof10030171 · Cited by 18

Comparison and analysis of the structures and binding modes of antifungal SE and CYP51 inhibitors

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Pyridine‐derived Schiff base copper (II), zinc (II), and cadmium (II) complexes: Synthesis, structural properties, biological evaluation, and docking studies

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Transferosomes as innovative drug delivery systems for enhanced antifungal therapy: A comprehensive review

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A quantitative analysis of ligand binding at the protein-lipid bilayer interface

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Current advancements and future perspectives of 1,2,3-triazoles to target lanosterol 14α-demethylase (CYP51), a cytochrome P450 enzyme: A computational approach

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Novel structural CYP51 mutation in Trypanosoma cruzi associated with multidrug resistance to CYP51 inhibitors and reduced infectivity

Franco, C. H., Warhurst, D. C., Bhattacharyya, T., Au, H. Y. A., Le, H., Giardini, M. A., Pascoalino, B. S., Torrecilhas, A. C., Romera, L. M. D., Madeira, R. P., et al. (2020) · International Journal for Parasitology Drugs and Drug Resistance · doi:10.1016/j.ijpddr.2020.06.001 · Cited by 15

Implication of efflux pumps and ERG11 genes in resistance of clinical Trichosporon asahii isolates to fluconazole

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Synthesis, Structural Characterization, and In Vitro and In Silico Antifungal Evaluation of Azo-Azomethine Pyrazoles (PhN2(PhOH)CHN(C3N2(CH3)3)PhR, R = H or NO2)

Fernandez, D., Restrepo-Acevedo, A., Rocha‐Roa, C., Lagadec, R. L., Abonı́a, R., Zacchino, S. A., Castaño, J. A. G., & Cabezas, F. C. (2021) · Molecules · doi:10.3390/molecules26247435 · Cited by 15

New 2‐Phenylquinoline‐Based Bis‐Methoxymethyl‐1,2,3‐Triazoles as Potential Antimicrobial Agents: Synthesis and Molecular Docking Studies against COVID‐19

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Oteseconazole: a long-awaited diversification of the antifungal arsenal to manage recurrent vulvovaginal candidiasis (RVVC)

Vandecruys, P., Baldewijns, S., Sillen, M., Genechten, W. V., & Dijck, P. V. (2023) · Expert Review of Anti-infective Therapy · doi:10.1080/14787210.2023.2233696 · Cited by 15

Preparation, Antifungal Activity Evaluation, and Mechanistic Studies of Unique and Structurally Novel Pyrazole-Heterocyclic-Amide Analogues

Wang, D., Zhang, T., Deng, Z., Xie, X.-S., Bao, A.-L., Chen, W., Li, W., Li, S., Tang, X., & Yan, Y. (2025) · Journal of Agricultural and Food Chemistry · doi:10.1021/acs.jafc.4c10490 · Cited by 14

Identifying novel inhibitors against drug-resistant mutant CYP-51 Candida albicans: A computational study to combat fungal infections

Jabeen, S., Khan, M. U., Ejaz, H., Waqar, S., Farhana, A., Alruwaili, M., Alruwaili, Y. S., Abdalla, A. E., Mudassar, S., & Ali, Q. (2025) · PLoS ONE · doi:10.1371/journal.pone.0318539 · Cited by 15

Design, synthesis, and biological activity evaluation of 2-(benzo[b]thiophen-2-yl)-4-phenyl-4,5-dihydrooxazole derivatives as broad-spectrum antifungal agents

Zhao, L., Sun, Y., Yin, W., Tian, L., Sun, N., Zheng, Y., Zhang, C., Zhao, S., Su, X., Zhao, D., et al. (2021) · European Journal of Medicinal Chemistry · doi:10.1016/j.ejmech.2021.113987 · Cited by 14

Unleashing the potential of vanillic acid: A new twist on nature's recipe to fight inflammation and circumvent azole-resistant fungal infections

Khan, F., Irshad, R., Tanveer, N., Yaqoob, S., Razaullah, Raza, A., Ali, N., Saifullah, J., Hasan, K. A., Naz, S., et al. (2024) · Bioorganic Chemistry · doi:10.1016/j.bioorg.2024.107254 · Cited by 16

A First-in-Class Pyrazole-isoxazole Enhanced Antifungal Activity of Voriconazole: Synergy Studies in an Azole-Resistant Candida albicans Strain, Computational Investigation and in Vivo Validation in a Galleria mellonella Fungal Infection Model

Pelliccia, S., Russomanno, P., Barone, S., Mateu, B., Alfano, A. I., Miranda, M., Coretti, L., Lembo, F., Piccolo, M., Irace, C., et al. (2024) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.4c01109 · Cited by 14

Molecular simulations of fluconazole-mediated inhibition of sterol biosynthesis

Siqueira, T. H., & Martı́nez, L. (2019) · Journal of Biomolecular Structure and Dynamics · doi:10.1080/07391102.2019.1614998 · Cited by 14

Oxidation of Isodrimeninol with PCC Yields Drimane Derivatives with Activity against Candida Yeast by Inhibition of Lanosterol 14-Alpha Demethylase

Marin, V., Iturra, A., Opazo-Capurro, A., Schmidt, B., Heydenreich, M., Ortíz, L., Jiménez, V. A., & Paz, C. (2020) · Biomolecules · doi:10.3390/biom10081101 · Cited by 14

Reducing the off-target endocrinologic adverse effects of azole antifungals—can it be done?

Balcerek, M. I., Stewart, A. G., Chapman, P. R., & Lazarus, S. (2022) · International Journal of Antimicrobial Agents · doi:10.1016/j.ijantimicag.2022.106587 · Cited by 14

Acceleration of murine hepatocyte proliferation by imazalil through the activation of nuclear receptor PXR

Yoshimaru, S., Shizu, R., Tsuruta, S., Amaike, Y., Kano, M., Hosaka, T., Sasaki, T., & Yoshinari, K. (2018) · The Journal of Toxicological Sciences · doi:10.2131/jts.43.443 · Cited by 14

Heterologous Expression of Full-Length Lanosterol 14α-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provides Tools for Antifungal Discovery

Keniya, M. V., Ruma, Y. N., Tyndall, J. D. A., & Monk, B. C. (2018) · Antimicrobial Agents and Chemotherapy · doi:10.1128/aac.01131-18 · Cited by 14

Molecular Docking Study of Active Diazenyl Scaffolds as Inhibitors of Essential Targets Towards Antimicrobial Drug Discovery

Kaur, H., Gahlawat, S., Singh, J., & Narasimhan, B. (2019) · Current Drug Targets · doi:10.2174/1389450120666190618122359 · Cited by 14

Exploring the chemical composition, in vitro and in silico study of the anticandidal properties of annonaceae species essential oils from the Amazon

Cascaes, M. M., da Silva, S. H. M., de Oliveira, M. S., Cruz, J. N., de Moraes, Â. A. B., do Nascimento, L. D., Ferreira, O. O., Guilhon, G. M. S. P., & Andrade, E. H. D. A. (2023) · PLoS ONE · doi:10.1371/journal.pone.0289991 · Cited by 13

Construction and Evaluation of Novel Dual-function Antifungal Inhibitors and Covalent Organic Framework Carriers Based on the Infection Microenvironment

Liu, Y., Wang, Q., Yu, S., Liu, M., Han, J., & Sun, B. (2023) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.3c01372 · Cited by 13

Design, synthesis, evaluation and optimization of novel azole analogues as potent antifungal agents

Zhang, J., Wang, Z., Gai, C., Yang, F., Yun, X., Jiang, B., Zou, Y., Meng, Q., Zhao, Q., & Chai, X. (2023) · Bioorganic & Medicinal Chemistry · doi:10.1016/j.bmc.2023.117543 · Cited by 13

Design, Synthesis, Bioactive Evaluation, and Molecular Dynamics Simulation of Novel 4 H -Pyrano[3,2- c ]pyridine Analogues as Potential Sterol 14α-Demethylase (CYP51) Inhibitors

Bao, A.-L., Jiang, W., Xie, X.-S., Wang, D., Deng, Z., Wang, J., Li, W., Tang, X., & Yan, Y. (2024) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.4c00032 · Cited by 13

Chiral Fluorescent Antifungal Azole Probes Detect Resistance, Uptake Dynamics, and Subcellular Distribution in Candida Species

Koren, V., Ben‐Zeev, E., Voronov, I., & Fridman, M. (2024) · JACS Au · doi:10.1021/jacsau.4c00479 · Cited by 13

Design, Synthesis, and Evaluation of Quinoline‐1,2,3‐Triazole Hybrids as CYP51 Inhibitors: In Silico Study and In Vitro Antimicrobial Assessment

Chabhadiya, B. K., Naik, H. N., Mohite, B. A., Ahmad, I., Naliapara, Y. T., Rajani, D. P., Ali, M. S., Patel, H., & Jauhari, S. (2024) · ChemistrySelect · doi:10.1002/slct.202402221 · Cited by 13

Ampyrone linked 1,2,3-triazole based chemosensor for selective detection of Fe(II and III) ions

Lal, B., Kumar, S., Singh, V., Tittal, R. K., Singh, G., Singh, J., & Ghule, V. D. (2024) · Inorganic Chemistry Communications · doi:10.1016/j.inoche.2024.113692 · Cited by 13

Copper Availability Influences the Transcriptomic Response of Candida albicans to Fluconazole Stress

Hunsaker, E. W., Yu, C.-H. A., & Franz, K. J. (2021) · G3 Genes Genomes Genetics · doi:10.1093/g3journal/jkab065 · Cited by 14

Design, Synthesis, and In Vitro and In Vivo Antifungal Activity of Novel Triazoles Containing Phenylethynyl Pyrazole Side Chains

Ni, T., Ding, Z., Xie, F., Hao, Y., Bao, J., Zhang, J., Yu, S., Jiang, Y., & Zhang, D. (2022) · Molecules · doi:10.3390/molecules27113370 · Cited by 13

Piperazine‐Modified Ketoconazole Derivatives Show Increased Activity against Fungal and Trypanosomatid Pathogens

Štěpánek, O., Čmoková, A., Procházková, E., Grobárová, V., Černý, J., Slapničková, M., Zı́ková, A., Kolařík, M., & Baszczyňski, O. (2022) · ChemMedChem · doi:10.1002/cmdc.202200385 · Cited by 13

Combating fluconazole-resistant fungi with novel β-azole-phenylacetone derivatives

Zhao, L., Sun, N., Tian, L., Sun, Y., Chen, Y., Wang, X., Zhao, S., Su, X., Zhao, D., & Cheng, M. (2019) · European Journal of Medicinal Chemistry · doi:10.1016/j.ejmech.2019.111689 · Cited by 13

Synthesis and Antibacterial Activity of New Chiral Aminoalcohol and Benzimidazole Hybrids

Çiçek, İ., Tunç, T., Öğütçü, H., Abdurrahmanoğlu, S., Günel, A., & Demirel, N. (2020) · ChemistrySelect · doi:10.1002/slct.202000355 · Cited by 13

Novel Pyrido[4,3-d]pyrimidine Derivatives as Potential Sterol 14α-Demethylase Inhibitors: Design, Synthesis, Inhibitory Activity, and Molecular Modeling

Yan, Y., Xie, X.-S., Jiang, W., Bao, A.-L., Deng, Z., Wang, D., Wang, J., Li, W., & Tang, X. W. (2024) · Journal of Agricultural and Food Chemistry · doi:10.1021/acs.jafc.3c09543 · Cited by 12

Balanites aegyptiaca (L.) Del. for dermatophytoses: Ascertaining the efficacy and mode of action through experimental and computational approaches

Abuthakir, M. H. S., Velusamy, S., & Jeyam, M. (2019) · Informatics in Medicine Unlocked · doi:10.1016/j.imu.2019.100177 · Cited by 12

Antimicrobial Screening, in Silico Studies and QSAR of Chalcone-based 1,4-disubstituted 1,2,3-triazole Hybrids

Yadav, P., Lal, K., & Kumar, A. (2020) · Drug Research · doi:10.1055/a-1296-7751 · Cited by 12

1,2,4-Triazole-3-Thiones: Greener, One-Pot, Ionic Liquid Mediated Synthesis and Antifungal Activity

Hassan, M. Z., Alsayari, A., Asiri, Y. I., & Muhsinah, A. B. (2021) · Polycyclic aromatic compounds · doi:10.1080/10406638.2021.2009887 · Cited by 12

Mulberrin inhibits Botrytis cinerea for strawberry storage by interfering with the bioactivity of 14α-demethylase (CYP51)

Liu, L., Wang, H., Lin, L., Gao, Y., & Niu, X. (2022) · Food & Function · doi:10.1039/d2fo00295g · Cited by 12

Chemical Characterization and Leishmanicidal Activity In Vitro and In Silico of Natural Products Obtained from Leaves of Vernonanthura brasiliana (L.) H. Rob (Asteraceae)

Fróes, Y. N., Araújo, J. G. N., Gonçalves, J. R. D. S., de Oliveira, M. D. J. M. G., Everton, G. O., Filho, V. E. M., Silva, M. R. C., Silva, L. D. M., Silva, L. A., Neto, L. G. L., et al. (2023) · Metabolites · doi:10.3390/metabo13020285 · Cited by 12

In silico prediction of ATTAF-1 and ATTAF-2 selectivity towards human/fungal lanosterol 14α-demethylase using molecular dynamic simulation and docking approaches

Irannejad, H., Emami, S., Mirzaei, H., & Hashemi, S. M. (2020) · Informatics in Medicine Unlocked · doi:10.1016/j.imu.2020.100366 · Cited by 12

Molecular structure, spectral and theoretical study of new type bile acid–sterol conjugates linked via 1,2,3-triazole ring

Kawka, A., Hajdaś, G., Kułaga, D., Koenig, H., Kowalczyk, I., & Pospieszny, T. (2022) · Journal of Molecular Structure · doi:10.1016/j.molstruc.2022.134313 · Cited by 11

Repurposing eugenol and cinnamaldehyde as potent antimicrobial agents: A comprehensive in-vitro and in-silico study

Qureshi, K. A., Parvez, A., & Jaremko, M. (2025) · Bioorganic Chemistry · doi:10.1016/j.bioorg.2025.108199 · Cited by 11

Ultrasonication driven, ionic liquid catalyzed synthesis of new benzo[d]isoxazole Schiff base derivatives: A comprehensive study of computational investigation, molecular docking, and biological evaluation

Kurahatti, S., Kalkhambkar, R. G., Rathod, M. R., Kapavarapu, R., Sindogi, K., Dalbanjan, N. P., Kumar, S. K. P., & Lobo, B. (2025) · Journal of Molecular Liquids · doi:10.1016/j.molliq.2025.127964 · Cited by 11

Microwave-assisted, facile and green synthesis of aryl and heteroaryl sulfonyl fluorides in [BMIM][F] ionic liquid: Molecular docking and biological studies

Hiremath, N. V., Anchi, A., Kurahatti, S., Kalkhambkar, R. G., Rathod, M. R., Sindogi, K., Dalbanjan, N. P., & Kumar, S. K. P. (2025) · Journal of Molecular Liquids · doi:10.1016/j.molliq.2025.128137 · Cited by 11

Miconazole Promotes Cooperative Ability of a Mouse Model of Alzheimer Disease

Wang, Z., Zhang, Y., Feng, W., Pang, Y., Chen, S., Ding, S., Chen, Y., Sheng, C., Marshall, C., Shi, J., et al. (2022) · The International Journal of Neuropsychopharmacology · doi:10.1093/ijnp/pyac061 · Cited by 11

Heterologous expression and characterization of the sterol 14α-demethylase CYP51F1 from Candida albicans

Park, H., Lee, I., Chun, Y., Yun, C., Johnston, J. B., de Montellano, P. R. O., & Kim, D. (2011) · Archives of Biochemistry and Biophysics · doi:10.1016/j.abb.2011.02.002 · Cited by 25

Azole Binding Properties of Candida albicans Sterol 14-α Demethylase (CaCYP51)

Warrilow, A. G. S., Martel, C. M., Parker, J. E., Melo, N., Lamb, D. C., Nes, W. D., Kelly, D. E., & Kelly, S. L. (2010) · Antimicrobial Agents and Chemotherapy · doi:10.1128/aac.00587-10 · Cited by 112

The R467K Amino Acid Substitution in Candida albicans Sterol 14α-Demethylase Causes Drug Resistance through Reduced Affinity

Lamb, D. C., Kelly, D. E., White, T. C., & Kelly, S. L. (2000) · Antimicrobial Agents and Chemotherapy · doi:10.1128/aac.44.1.63-67.2000 · Cited by 133

Crystal structure of cytochrome P450 14α-sterol demethylase (CYP51) from Mycobacterium tuberculosis in complex with azole inhibitors

Podust, L. M., Poulos, T. L., & Waterman, M. R. (2001) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.061562898 · Cited by 542

Small‐Molecule Inhibitors Targeting Sterol 14α‐Demethylase (CYP51): Synthesis, Molecular Modelling and Evaluation Against Candida albicans

Binjubair, F. A., Parker, J. E., Warrilow, A. G. S., Puri, K., Braidley, P. J., Tatar, E., Kelly, S. L., Kelly, D. E., & Simons, C. (2020) · ChemMedChem · doi:10.1002/cmdc.202000250 · Cited by 30