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Methods for Computer-Aided Chemical Biology. Part 5: Rationalizing the Selectivity of Cathepsin Inhibitors on the Basis of Molecular Fragments and Topological Feature Distributions.
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- Chemical Biology & Drug Design, 2009, v. 74, n. 2, p. 129, doi. 10.1111/j.1747-0285.2009.00848.x
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- Article
Methods for Computer-Aided Chemical Biology. Part 4: Selectivity Searching for Ion Channel Ligands and Mapping of Molecular Fragments as Selectivity Markers.
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- Chemical Biology & Drug Design, 2009, v. 73, n. 3, p. 273, doi. 10.1111/j.1747-0285.2009.00784.x
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- Article
Design and Synthesis of Benzene Homologues Tethered with 1,2,4-Triazole and 1,3,4-Thiadiazole Motifs Revealing Dual MCF-7/HepG2 Cytotoxic Activity with Prominent Selectivity via Histone Demethylase LSD1 Inhibitory Effect.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 15, p. 8796, doi. 10.3390/ijms23158796
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- Article
Design, Synthesis, Cytotoxic Evaluation and Molecular Docking of New Fluoroquinazolinones as Potent Anticancer Agents with Dual EGFR Kinase and Tubulin Polymerization Inhibitory Effects.
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- International Journal of Molecular Sciences, 2018, v. 19, n. 6, p. 1731, doi. 10.3390/ijms19061731
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- Article
The Design and Development of Potent Small Molecules as Anticancer Agents Targeting EGFR TK and Tubulin Polymerization.
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- International Journal of Molecular Sciences, 2018, v. 19, n. 2, p. 408, doi. 10.3390/ijms19020408
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- Article
Synthesis, Biological Evaluation, and Molecular Docking of Novel Thiazoles and [1,3,4]Thiadiazoles Incorporating Sulfonamide Group as DHFR Inhibitors.
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- Chemistry & Biodiversity, 2018, v. 15, n. 9, p. 1, doi. 10.1002/cbdv.201800231
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- Article
Methods for Computer-aided Chemical Biology. Part 1: Design of a Benchmark System for the Evaluation of Compound Selectivity.
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- Chemical Biology & Drug Design, 2007, v. 70, n. 3, p. 182, doi. 10.1111/j.1747-0285.2007.00554.x
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- Article
Methods for Computer-aided Chemical Biology. Part 2: Evaluation of Compound Selectivity Using 2D Molecular Fingerprints.
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- Chemical Biology & Drug Design, 2007, v. 70, n. 3, p. 195, doi. 10.1111/j.1747-0285.2007.00555.x
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- Article
In vivo‐ and in silico‐driven identification of novel synthetic quinoxalines as anticonvulsants and AMPA inhibitors.
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- Archiv der Pharmazie, 2021, v. 354, n. 5, p. 1, doi. 10.1002/ardp.202000449
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- Article
Synthesis, antimicrobial evaluation, DNA gyrase inhibition, and in silico pharmacokinetic studies of novel quinoline derivatives.
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- Archiv der Pharmazie, 2021, v. 354, n. 2, p. 1, doi. 10.1002/ardp.202000277
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- Article
Novel 1,2,4‐triazole derivatives: Design, synthesis, anticancer evaluation, molecular docking, and pharmacokinetic profiling studies.
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- Archiv der Pharmazie, 2020, v. 353, n. 12, p. 1, doi. 10.1002/ardp.202000170
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- Article
Extensive Study of DFT-Quantum Calculations Based QSAR Modeling of Fused 1,2,4-Triazine Derivatives Revealed Potent CYP1A1 Inhibitors.
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- 2022
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- Correction Notice
Extensive Study of DFT-Quantum Calculations Based QSAR Modeling of Fused 1,2,4-Triazine Derivatives Revealed Potent CYP1A1 Inhibitors.
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- Journal of Computational Biophysics & Chemistry, 2022, v. 21, n. 7, p. 741, doi. 10.1142/S2737416522300036
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- Article
Design, Synthesis and Cytotoxic Evaluation of Novel Chalcone Derivatives Bearing Triazolo[4,3-α]-quinoxaline Moieties as Potent Anticancer Agents with Dual EGFR Kinase and Tubulin Polymerization Inhibitory Effects.
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- Molecules, 2018, v. 23, n. 1, p. 48, doi. 10.3390/molecules23010048
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- Article
Synthesis, Modelling, and Anticonvulsant Studies of New Quinazolines Showing Three Highly Active Compounds with Low Toxicity and High Affinity to the GABA-A Receptor.
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- Molecules, 2017, v. 22, n. 2, p. 188, doi. 10.3390/molecules22020188
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- Article
Self Organizing Map-Based Classification of Cathepsin k and S Inhibitors with Different Selectivity Profiles Using Different Structural Molecular Fingerprints: Design and Application for Discovery of Novel Hits.
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- Molecules, 2016, v. 21, n. 2, p. 175, doi. 10.3390/molecules21020175
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- Article
Development of Novel Class of Phenylpyrazolo[3,4- d ]pyrimidine-Based Analogs with Potent Anticancer Activity and Multitarget Enzyme Inhibition Supported by Docking Studies.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 19, p. 15026, doi. 10.3390/ijms241915026
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- Article