Drug Repurposing and Polypharmacology to Fight SARS-CoV-2 Through Inhibition of the Main Protease

Giulio Rastelli , Fabiana Caporuscio , Luca Pinzi , Annachiara Tinivella
Frontiers in Pharmacology 12 636989

3
2021
Bis(diamido)‐Bridged Basket Resorcin[4]arenes as Enantioselective Receptors for Amino Acids and Amines

Bruno Botta , Ilaria D'Acquarica , Laura Nevola , Fabiola Sacco
European Journal of Organic Chemistry 2007 ( 36) 5995 -6002

18
2007
Bis(diamido)-Bridged Basket Resorcin[4]arenes as Enantioselective Receptors for Amino Acids and Amines (Eur. J. Org. Chem. 36/2007)

Bruno Botta , Ilaria D'Acquarica , Laura Nevola , Fabiola Sacco
European Journal of Organic Chemistry 2007 ( 36) 5959 -5959

2007
Application of a post-docking procedure based on MM-PBSA and MM-GBSA on single and multiple protein conformations.

Miriam Sgobba , Fabiana Caporuscio , Andrew Anighoro , Corinne Portioli
European Journal of Medicinal Chemistry 58 431 -440

51
2012
Structure-based design of potent aromatase inhibitors by high-throughput docking.

Fabiana Caporuscio , Giulio Rastelli , Carol Imbriano , Alberto Del Rio
Journal of Medicinal Chemistry 54 ( 12) 4006 -4017

110
2011
Gas-Phase Enantioselectivity of Chiral Amido[4]resorcinarene Receptors

Bruno Botta , Fabiana Caporuscio , Ilaria D'Acquarica , Giuliano Delle Monache
Chemistry - A European Journal 12 ( 31) 8096 -8105

19
2006
CoCoCo: a free suite of multiconformational chemical databases for high-throughput virtual screening purposes

Alberto Del Rio , Arménio Jorge Moura Barbosa , Fabiana Caporuscio , Giuseppe Felice Mangiatordi
Molecular BioSystems 6 ( 11) 2122 -2128

46
2010
Contribution of the residue at position 4 within classical nuclear localization signals to modulating interaction with importins and nuclear targeting.

Kate M. Smith , Veronica Di Antonio , Luca Bellucci , David R. Thomas
Biochimica et Biophysica Acta 1865 ( 8) 1114 -1129

13
2018
Titelbild: Flattened Cone 2,8,14,20-Tetrakis(L-valinamido)[4]resorcinarene: An Enantioselective Allosteric Receptor in the Gas Phase (Angew. Chem. 17/2006)

Bruno Botta , Fabiana Caporuscio , Deborah Subissati , Andrea Tafi
Angewandte Chemie 118 ( 17) 2705 -2705

2006
Discovery of Multitarget Antivirals Acting on Both the Dengue Virus NS5-NS3 Interaction and the Host Src/Fyn Kinases

Paolo Vincetti , Fabiana Caporuscio , Suzanne Kaptein , Antimo Gioiello
Journal of Medicinal Chemistry 58 ( 12) 4964 -4975

56
2015
Probing an Allosteric Pocket of CDK2 with Small Molecules

Michael S Christodoulou , Fabiana Caporuscio , Valentina Restelli , Luca Carlino
ChemMedChem 12 ( 1) 33 -41

11
2017
Inside Cover: Probing an Allosteric Pocket of CDK2 with Small Molecules (ChemMedChem 1/2017)

Michael S Christodoulou , Fabiana Caporuscio , Valentina Restelli , Luca Carlino
ChemMedChem 12 ( 1) 2 -2

2017
Structure-Activity Relationships of Hexahydrocyclopenta[c]quinoline Derivatives as Allosteric Inhibitors of CDK2 and EGFR.

Luca Carlino , Michael S Christodoulou , Valentina Restelli , Fabiana Caporuscio
ChemMedChem 13 ( 24) 2627 -2634

9
2018
Repurposing Known Drugs as Covalent and Non-covalent Inhibitors of the SARS-CoV-2 Papain-Like Protease.

Pietro Delre , Fabiana Caporuscio , Michele Saviano , Giuseppe Felice Mangiatordi
Frontiers in Chemistry 8 594009

39
2020
1-[(3-Aryloxy-3-aryl)propyl]-1H-imidazoles, New Imidazoles with Potent Activity against Candida albicans and Dermatophytes. Synthesis, Structure−Activity Relationship, and Molecular Modeling Studies

Giuseppe La Regina , Felicia Diodata D’Auria , Andrea Tafi , Francesco Piscitelli
Journal of Medicinal Chemistry 51 ( 13) 3841 -3855

25
2008
Exploiting computationally derived out-of-the-box protein conformations for drug design

Fabiana Caporuscio , Giulio Rastelli
Future Medicinal Chemistry 8 ( 15) 1887 -1897

5
2016
Identification of small-molecule EGFR allosteric inhibitors by high-throughput docking.

Fabiana Caporuscio , Annachiara Tinivella , Valentina Restelli , Marta S Semrau
Future Medicinal Chemistry 10 ( 13) 1545 -1553

6
2018
Structure-based design of small-molecule protein-protein interaction modulators: the story so far.

Federico Falchi , Fabiana Caporuscio , Maurizio Recanatini
Future Medicinal Chemistry 6 ( 3) 343 -357

38
2014
Antifungal Agents. 11. N-Substituted Derivatives of 1-[(Aryl)(4-aryl-1H-pyrrol-3-yl)methyl]-1H-imidazole: Synthesis, Anti-Candida Activity, and QSAR Studies

Roberto Di Santo , Andrea Tafi , Roberta Costi , Maurizo Botta
Journal of Medicinal Chemistry 48 ( 16) 5140 -5153

114
2005
Selection of protein conformations for structure-based polypharmacology studies.

Luca Pinzi , Fabiana Caporuscio , Giulio Rastelli
Drug Discovery Today 23 ( 11) 1889 -1896

8
2018