Evaluation of the IKKβ binding of indicaxanthin by induced-fit docking, binding pose metadynamics, and molecular dynamics M Allegra, M Tutone, L Tesoriere, A Attanzio, G Culletta, AM Almerico Frontiers in pharmacology 12, 701568, 2021 | 35 | 2021 |
Exploring the SARS-CoV-2 proteome in the search of potential inhibitors via structure-based pharmacophore modeling/docking approach G Culletta, MR Gulotta, U Perricone, M Zappalà, AM Almerico, M Tutone Computation 8 (3), 77, 2020 | 35 | 2020 |
Indicaxanthin, a multi-target natural compound from Opuntia ficus-indica fruit: From its poly-pharmacological effects to biochemical mechanisms and molecular modelling studies M Allegra, M Tutone, L Tesoriere, AM Almerico, G Culletta, MA Livrea, ... European journal of medicinal chemistry 179, 753-764, 2019 | 35 | 2019 |
In silico design, synthesis, and biological evaluation of anticancer arylsulfonamide endowed with anti-telomerase activity G Culletta, M Allegra, AM Almerico, I Restivo, M Tutone Pharmaceuticals 15 (1), 82, 2022 | 18 | 2022 |
Pharmacophore-based design of new chemical scaffolds as translational readthrough-inducing drugs (TRIDs) M Tutone, I Pibiri, R Perriera, A Campofelice, G Culletta, R Melfi, A Pace, ... ACS Medicinal Chemistry Letters 11 (5), 747-753, 2020 | 17 | 2020 |
Sulfonamide moiety as “molecular chimera” in the design of new drugs G Culletta, M Tutone, M Zappalà, AM Almerico Current Medicinal Chemistry 30 (2), 128-163, 2023 | 16 | 2023 |
Natural products as non-covalent and covalent modulators of the KEAP1/NRF2 pathway exerting antioxidant effects G Culletta, B Buttari, M Arese, S Brogi, AM Almerico, L Saso, M Tutone European journal of medicinal chemistry, 116355, 2024 | 11 | 2024 |
Aminoquinolines: fluorescent sensors to DNA–A minor groove probe. Experimental and in silico studies L de Carvalho Bertozo, M Tutone, B Pastrello, LC da Silva-Filho, ... Journal of Photochemistry and Photobiology A: Chemistry 444, 114944, 2023 | 10 | 2023 |
Fighting Antibiotic Resistance: New Pyrimidine-Clubbed Benzimidazole Derivatives as Potential DHFR Inhibitors MA Haque, A Marathakam, R Rana, SJ Almehmadi, VB Tambe, ... Molecules 28 (2), 501, 2023 | 9 | 2023 |
Investigating the Inhibition of FTSJ1, a Tryptophan tRNA-Specific 2′-O-Methyltransferase by NV TRIDs, as a Mechanism of Readthrough in Nonsense Mutated CFTR PS Carollo, M Tutone, G Culletta, I Fiduccia, F Corrao, I Pibiri, ... International journal of molecular sciences 24 (11), 9609, 2023 | 8 | 2023 |
Comparing molecular dynamics-derived pharmacophore models with docking: A study on CDK-2 inhibitors G Culletta, AM Almerico, M Tutone Chemical Data Collections 28, 100485, 2020 | 7 | 2020 |
A definitive pharmacophore modelling study on CDK2 ATP pocket binders: tracing the path of new virtual high-throughput screenings M Tutone, G Culletta, L Livecchi, AM Almerico Current Drug Discovery Technologies 17 (5), 740-747, 2020 | 6 | 2020 |
Immunoproteasome and Non-Covalent Inhibition: Exploration by Advanced Molecular Dynamics and Docking Methods G Culletta, M Zappalà, R Ettari, AM Almerico, M Tutone Molecules 26 (13), 4046, 2021 | 3 | 2021 |
Unveiling Novel Hybrids Quinazoline/Phenylsulfonylfuroxan Derivatives with Potent Multi‐Anticancer Inhibition: DFT and In Silico Approach Combining 2D‐QSAR, Molecular Docking … A Guendouzi, L Belkhiri, A Guendouzi, G Culletta, M Tutone ChemistrySelect 9 (43), e202404283, 2024 | | 2024 |
Chaperoning system: Intriguing target to modulate the expression of CFTR in cystic fibrosis F Scalia, G Culletta, M Barreca, CC Bavisotto, R Bivacqua, G D’Amico, ... European Journal of Medicinal Chemistry, 116809, 2024 | | 2024 |
RESCUING P53 BY NEW TRANSLATIONAL READTHROUGH INDUCING DRUGS G Culletta, D Ricci, M Tutone, A Almerico, M Menditto, L Lentini, R Melfi, ... Atti del Congresso Congiunto 2024 delle Sezioni Sicilia e Calabria della …, 2024 | | 2024 |
INVESTIGATING THE NR2F2 STRUCTURE FOR DRUG REPURPOSING G Culletta, M Tutone, A Almerico Book of Abstracts, 2024 | | 2024 |
Treatment of Complex Regional Pain Syndrome (CRPS): New Perspectives in the use of Sulfonamides as Modulators of P2X Receptors G Culletta, AM Almerico, M Tutone Recent Advances in Inflammation & Allergy Drug Discovery 17 (2), 88-95, 2023 | | 2023 |
Virtual Screening Strategy and In Vitro Tests to Identify New Inhibitors of the Immunoproteasome G Culletta, M Tutone, R Ettari, U Perricone, C Di Chio, AM Almerico, ... International Journal of Molecular Sciences 24 (13), 10504, 2023 | | 2023 |
Exploring the new non-covalent immunoproteasome inhibitors of β1i/β5i subunits: Virtual screening and in vitro test G Culletta, M Tutone, U Perricone, C Di Chio, A Almerico, M Zappalà Exploring the new non-covalent immunoproteasome inhibitors of β1i/β5i …, 2023 | | 2023 |