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Flavio Ballante, Ph.D. - Publications

Affiliations: 
2010-2014 Chemistry and Technology of Drugs University of Rome La Sapienza, Roma, Lazio, Italy 
 2014-2017 Biochemistry and Molecular Biophysics Washington University School of Medicine in St. Louis 
 2017-2022 Cell and Molecular Biology Uppsala University, Uppsala, Uppsala län, Sweden 
 2022- Medical Biochemistry and Biophysics Karolinska Institute, Stockholm, Sweden 
Area:
Medicinal Chemistry, Computational Chemistry, Drug Discovery, Drug Design
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24 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Ballante F, Turkina MV, Ntzouni M, Magnusson KE, Vikström E. Modified N-acyl-L-homoserine lactone compounds abrogate Las-dependent quorum-sensing response in human pathogen Pseudomonas aeruginosa Frontiers in Molecular Biosciences. 10. PMID 37908228 DOI: 10.3389/fmolb.2023.1264773  0.389
2021 Ballante F, Kooistra AJ, Kampen S, de Graaf C, Carlsson J. Structure-Based Virtual Screening for Ligands of G Protein–Coupled Receptors: What Can Molecular Docking Do for You? Pharmacological Reviews. 73. PMID 34907092 DOI: 10.1124/pharmrev.120.000246  0.488
2021 Kapla J, Rodríguez-Espigares I, Ballante F, Selent J, Carlsson J. Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models? Plos Computational Biology. 17: e1008936. PMID 33983933 DOI: 10.1371/journal.pcbi.1008936  0.66
2021 Nencetti S, Cuffaro D, Nuti E, Ciccone L, Rossello A, Fabbi M, Ballante F, Ortore G, Carbotti G, Campelli F, Banti I, Gangemi R, Marshall GR, Orlandini E. Identification of histone deacetylase inhibitors with (arylidene)aminoxy scaffold active in uveal melanoma cell lines. Journal of Enzyme Inhibition and Medicinal Chemistry. 36: 34-47. PMID 33100043 DOI: 10.1080/14756366.2020.1835883  0.545
2021 Ballante F. Protein-Ligand Interactions and Drug Design Methods in Molecular Biology. 2266: XV, 327. DOI: 10.1007/978-1-0716-1209-5  0.333
2019 Ballante F, Rudling A, Zeifman A, Luttens A, Vo DD, Irwin JJ, Kihlberg J, Brea JM, Loza MI, Carlsson J. Docking finds GPCR ligands in dark chemical matter. Journal of Medicinal Chemistry. PMID 31846328 DOI: 10.1021/Acs.Jmedchem.9B01560  0.686
2018 Kennedy AJ, Ballante F, Johansson JR, Milligan G, Sundström L, Nordqvist A, Carlsson J. Structural Characterization of Agonist Binding to Protease-Activated Receptor 2 through Mutagenesis and Computational Modeling. Acs Pharmacology & Translational Science. 1: 119-133. PMID 32219208 DOI: 10.1021/acsptsci.8b00019  0.633
2018 Ballante F. Protein-Ligand Docking in Drug Design: Performance Assessment and Binding-Pose Selection Methods in Molecular Biology. 1824: 67-88. PMID 30039402 DOI: 10.1007/978-1-4939-8630-9_5  0.554
2017 Marshall GR, Ballante F. Limiting Assumptions in the Design of Peptidomimetics. Drug Development Research. PMID 28875546 DOI: 10.1002/Ddr.21406  0.58
2017 Ballante F, Reddy DR, Zhou NJ, Marshall GR. Structural insights of SmKDAC8 inhibitors: Targeting Schistosoma epigenetics through a combined structure-based 3D QSAR, in vitro and synthesis strategy. Bioorganic & Medicinal Chemistry. PMID 28259528 DOI: 10.1016/J.Bmc.2017.02.020  0.685
2017 Ballante F, Reddy DR, Zhou NJ, Marshall GR. Structural insights of SmKDAC8 inhibitors: Targeting Schistosoma epigenetics through a combined structure-based 3D QSAR, in vitro and synthesis strategy. Bioorganic & Medicinal Chemistry. 2105-2132. PMID 28259528 DOI: 10.1016/j.bmc.2017.02.020  0.551
2016 Reddy DR, Ballante F, Zhou NJ, Marshall GR. Design and synthesis of benzodiazepine analogs as isoform-selective human lysine deacetylase inhibitors. European Journal of Medicinal Chemistry. 127: 531-553. PMID 28109947 DOI: 10.1016/J.Ejmech.2016.12.032  0.643
2015 Ballante F, Marshall GR. An Automated Strategy for Binding-Pose Selection and Docking Assessment in Structure-Based Drug Design. Journal of Chemical Information and Modeling. PMID 26682916 DOI: 10.1021/Acs.Jcim.5B00603  0.634
2015 Nandarapu DR, Ballante F, Chuang T, Pirolli A, Marrocco B, Marshall GR. Design and Synthesis of Simplified Largazole Analogs as Isoform-Selective Human Lysine Deacetylase Inhibitors. Journal of Medicinal Chemistry. PMID 26681404 DOI: 10.1021/Acs.Jmedchem.5B01632  0.62
2015 Ragno R, Ballante F, Pirolli A, Wickersham RB, Patsilinakos A, Hesse S, Perspicace E, Kirsch G. Vascular endothelial growth factor receptor-2 (VEGFR-2) inhibitors: development and validation of predictive 3-D QSAR models through extensive ligand- and structure-based approaches. Journal of Computer-Aided Molecular Design. 29: 757-76. PMID 26194852 DOI: 10.1007/S10822-015-9859-Y  0.691
2014 Rotili D, Tarantino D, Nawrozkij MB, Babushkin AS, Botta G, Marrocco B, Cirilli R, Menta S, Badia R, Crespan E, Ballante F, Ragno R, Esté JA, Maga G, Mai A. Exploring the role of 2-chloro-6-fluoro substitution in 2-alkylthio-6-benzyl-5-alkylpyrimidin-4(3H)-ones: effects in HIV-1-infected cells and in HIV-1 reverse transcriptase enzymes. Journal of Medicinal Chemistry. 57: 5212-25. PMID 24933420 DOI: 10.1021/Jm500284X  0.576
2014 Ballante F, Caroli A, Wickersham RB, Ragno R. Hsp90 inhibitors, part 1: definition of 3-D QSAutogrid/R models as a tool for virtual screening. Journal of Chemical Information and Modeling. 54: 956-69. PMID 24564321 DOI: 10.1021/Ci400759T  0.691
2014 Caroli A, Ballante F, Wickersham RB, Corelli F, Ragno R. Hsp90 inhibitors, part 2: combining ligand-based and structure-based approaches for virtual screening application. Journal of Chemical Information and Modeling. 54: 970-7. PMID 24555544 DOI: 10.1021/Ci400760A  0.703
2013 Friggeri L, Ballante F, Ragno R, Musmuca I, De Vita D, Manetti F, Biava M, Scipione L, Di Santo R, Costi R, Feroci M, Tortorella S. Pharmacophore assessment through 3-D QSAR: evaluation of the predictive ability on new derivatives by the application on a series of antitubercular agents. Journal of Chemical Information and Modeling. 53: 1463-74. PMID 23617317 DOI: 10.1021/Ci400132Q  0.685
2013 Perspicace E, Jouan-Hureaux V, Ragno R, Ballante F, Sartini S, La Motta C, Da Settimo F, Chen B, Kirsch G, Schneider S, Faivre B, Hesse S. Design, synthesis and biological evaluation of new classes of thieno[3,2-d]pyrimidinone and thieno[1,2,3]triazine as inhibitor of vascular endothelial growth factor receptor-2 (VEGFR-2). European Journal of Medicinal Chemistry. 63: 765-81. PMID 23583911 DOI: 10.1016/J.Ejmech.2013.03.022  0.651
2012 Ballante F, Musmuca I, Marshall GR, Ragno R. Comprehensive model of wild-type and mutant HIV-1 reverse transciptases. Journal of Computer-Aided Molecular Design. 26: 907-19. PMID 22833004 DOI: 10.1007/S10822-012-9586-6  0.704
2012 Silvestri L, Ballante F, Mai A, Marshall GR, Ragno R. Histone deacetylase inhibitors: structure-based modeling and isoform-selectivity prediction. Journal of Chemical Information and Modeling. 52: 2215-35. PMID 22762501 DOI: 10.1021/Ci300160Y  0.713
2012 Ballante F, Ragno R. 3-D QSAutogrid/R: an alternative procedure to build 3-D QSAR models. Methodologies and applications. Journal of Chemical Information and Modeling. 52: 1674-85. PMID 22643034 DOI: 10.1021/Ci300123X  0.636
2012 Rotili D, Samuele A, Tarantino D, Ragno R, Musmuca I, Ballante F, Botta G, Morera L, Pierini M, Cirilli R, Nawrozkij MB, Gonzalez E, Clotet B, Artico M, Esté JA, et al. 2-(Alkyl/aryl)amino-6-benzylpyrimidin-4(3H)-ones as inhibitors of wild-type and mutant HIV-1: enantioselectivity studies. Journal of Medicinal Chemistry. 55: 3558-62. PMID 22428851 DOI: 10.1021/Jm201308V  0.613
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