| The β20–β21 of gp120 is a regulatory switch for HIV-1 Env conformational transitions A Herschhorn, C Gu, F Moraca, X Ma, M Farrell, AB Smith III, M Pancera, ... Nature communications 8 (1), 1049, 2017 | 83 | 2017 |
| Inhibition of Leishmania infantum Trypanothione Reductase by Azole‐Based Compounds: a Comparative Analysis with Its Physiological Substrate by X‐ray … P Baiocco, G Poce, S Alfonso, M Cocozza, GC Porretta, G Colotti, M Biava, ... ChemMedChem 8 (7), 1175-1183, 2013 | 79 | 2013 |
| A fast virtual screening approach to identify structurally diverse inhibitors of trypanothione reductase G Maccari, T Jaeger, F Moraca, M Biava, L Flohé, M Botta Bioorganic & medicinal chemistry letters 21 (18), 5255-5258, 2011 | 29 | 2011 |
| In vitro screening of 2-(1H-imidazol-1-yl)-1-phenylethanol derivatives as antiprotozoal agents and docking studies on Trypanosoma cruzi CYP51 D De Vita, F Moraca, C Zamperini, F Pandolfi, R Di Santo, A Matheeussen, ... European Journal of Medicinal Chemistry 113, 28-33, 2016 | 27 | 2016 |
| Discovery of the first potent and selective Mycobacterium tuberculosis Zmp1 inhibitor M Mori, F Moraca, D Deodato, DM Ferraris, P Selchow, P Sander, M Rizzi, ... Bioorganic & medicinal chemistry letters 24 (11), 2508-2511, 2014 | 27 | 2014 |
| Binding Mode and Selectivity of Steroids towards Glucose-6-phosphate Dehydrogenase from the Pathogen Trypanosoma cruzi C Ortiz, F Moraca, A Medeiros, M Botta, N Hamilton, MA Comini Molecules 21 (3), 368, 2016 | 25 | 2016 |
| Application of free energy perturbation (FEP+) to understanding ligand selectivity: a case study to assess selectivity between pairs of phosphodiesterases (PDE’s) F Moraca, A Negri, C de Oliveira, R Abel Journal of chemical information and modeling 59 (6), 2729-2740, 2019 | 22 | 2019 |
| Synthesis, biological evaluation and structure–activity correlation study of a series of imidazol-based compounds as Candida albicans inhibitors F Moraca, D De Vita, F Pandolfi, R Di Santo, R Costi, R Cirilli, FD D’Auria, ... European Journal of Medicinal Chemistry 83, 665-673, 2014 | 22 | 2014 |
| New Promising Compounds with in Vitro Nanomolar Activity against Trypanosoma cruzi L Friggeri, L Scipione, R Costi, M Kaiser, F Moraca, C Zamperini, B Botta, ... ACS medicinal chemistry letters 4 (6), 538-541, 2013 | 21 | 2013 |
| In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas S Ottavi, SM Scarry, J Mosior, Y Ling, J Roberts, A Singh, D Zhang, ... Journal of Medicinal Chemistry 65 (3), 1996-2022, 2022 | 11 | 2022 |
| Glucose 6-Phosphate Dehydrogenase from Trypanosomes: Selectivity for Steroids and Chemical Validation in Bloodstream Trypanosoma brucei C Ortíz, F Moraca, M Laverriere, A Jordan, N Hamilton, MA Comini Molecules 26 (2), 358, 2021 | 11 | 2021 |
| Macrocyclic Peptides that Selectively Inhibit the Mycobacterium tuberculosis Proteasome H Zhang, HC Hsu, SC Kahne, R Hara, W Zhan, X Jiang, K Burns-Huang, ... Journal of medicinal chemistry 64 (9), 6262-6272, 2021 | 9 | 2021 |
| Computational evaluation of HIV-1 gp120 conformations of soluble trimeric gp140 structures as targets for de novo docking of first-and second-generation small-molecule CD4 mimics F Moraca, K Acharya, B Melillo, AB Smith III, I Chaiken, CF Abrams Journal of chemical information and modeling 56 (10), 2069-2079, 2016 | 8 | 2016 |
| Recognition of HIV‐inactivating peptide triazoles by the recombinant soluble Env trimer, BG505 SOSIP. 664 K Acharya, AA Rashad, F Moraca, PJ Klasse, JP Moore, C Abrams, ... Proteins: Structure, Function, and Bioinformatics 85 (5), 843-851, 2017 | 7 | 2017 |
| Identification of gp120 residue His105 as a novel target for HIV-1 neutralization by small-molecule CD4-mimics CJ Fritschi, S Liang, M Mohammadi, S Anang, F Moraca, J Chen, ... ACS Medicinal Chemistry Letters 12 (11), 1824-1831, 2021 | 6 | 2021 |
| The beta20-beta21 of gp120 is a regulatory switch for HIV-1 Env conformational transitions. Nat Commun. 2017; 8 (1): 1049 A Herschhorn, C Gu, F Moraca, X Ma, M Farrell, AB Smith 3rd Epub 2017/10/21. https://doi. org/10.1038/s41467-017-01119-w PMID: 29051495, 0 | 5 | |
| Specific Noncovalent Interactions Determine Optimal Structure of a Buried Ligand Moiety: QM/MM and Pure QM Modeling of Complexes of the Small‐Molecule CD4 Mimetics and HIV‐1 gp120 F Moraca, D Rinaldo, AB Smith III, CF Abrams ChemMedChem 13 (6), 627-633, 2018 | 4 | 2018 |
| Publisher Correction: The β20–β21 of gp120 is a regulatory switch for HIV-1 Env conformational transitions A Herschhorn, C Gu, F Moraca, X Ma, M Farrell, AB Smith III, M Pancera, ... Nature communications 9, 2018 | 2 | 2018 |
| Exploring the Activity Profile of TbrPDEB1 and hPDE4 Inhibitors Using Free Energy Perturbation L Zara, F Moraca, JE Van Muijlwijk-Koezen, B Zarzycka, R Abel, ... ACS medicinal chemistry letters 13 (6), 904-910, 2022 | 1 | 2022 |
| Retrospective study to assess selectivity among phosphodiesterases (PDE's) families using FEP F Moraca, A Negri ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
