Publications

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2014

Exploring the Role of 2 ‑ Chloro-6- fluoro Substitution in 2 ‑ Alkylthio-6- benzyl-5-alkylpyrimidin-4(3 H ) ‑ ones: Effects in HIV-1-Infected Cells and in HIV ‑ 1 Reverse Transcriptase Enzymes

Dante, Rotili; Domenico, Tarantino; Maxim B, Nawrozkij; Alexandre S, Babushkin; Giorgia, Botta; Biagina, Marrocco; Roberto, Cirilli; Sergio, Menta; Roger, Badia; Emmanuele, Crespan; Flavio, Ballante; Rino, Ragno; José A, Esté; Giovanni, Maga; Antonello, Mai

Exploring the Role of 2 ‑ Chloro-6- fluoro Substitution in 2 ‑ Alkylthio-6- benzyl-5-alkylpyrimidin-4(3 H ) ‑ ones: Effects in HIV-1-Infected Cells and in HIV ‑ 1 Reverse Transcriptase Enzymes Journal Article

In: Journal of Medicinal Chemistry, 57 (12), pp. 5212-5225, 2014.

Abstract | Links | BibTeX | Tags: Biochemistry, COMBINEr, DABO, HIV-1, HIV-RT, Molecular Docking, Molecular Modeling, NNRTIs, Organic Chemistry, PLS

Application of Medicinal Chemistry Methods on Different Classes of Drugs

Flavio, Ballante

Application of Medicinal Chemistry Methods on Different Classes of Drugs PhD Thesis

Sapienza University of Rome, 2014.

Abstract | Links | BibTeX | Tags: 3-D QSAutogrid/R, 3D QSAR, Biochemistry, BSAO, Chemoinformatics, Chemometrics, COMBINEr, CoMFA, DABO, DockAccessor, Docking Assessment, HCV NS5B, HDAC, HIV-1, HIV-RT, HSP90, HUVEC, Ligand-Based Design, Molecular Docking, Molecular Modeling, MPGRS, NNRTIs, Opioid-Receptor Antagonists, Organic Chemistry, Pharmacophoric Model, PLS, Tuberculosis, VEGFR-2, Virtual Screening

2012

Comprehensive model of wild-type and mutant HIV-1 reverse transciptases

Flavio, Ballante; Ira, Musmuca; Marshall, Garland R; Rino, Ragno

Comprehensive model of wild-type and mutant HIV-1 reverse transciptases Journal Article

In: Journal of Computer-Aided Molecular Design, 26 (8), pp. 907-919, 2012.

Abstract | Links | BibTeX | Tags: 3D QSAR, COMBINEr, DABO, HIV-1, HIV-RT, PLS

2-(Alkyl/aryl) amino-6-benzylpyrimidin-4 (3H)-ones as inhibitors of wild-type and mutant HIV-1: enantioselectivity studies

Dante, Rotili; Alberta, Samuele; Domenico, Tarantino; Rino, Ragno; Ira, Musmuca; Flavio, Ballante; Giorgia, Botta; Ludovica, Morera; Marco, Pierini; Roberto, Cirilli; Maxim B, Nawrozkij; Emmanuel, Gonzalez; Bonaventura, Clotet; Marino, Artico; José A, Esté; Giovanni, Maga; Antonello, Mai

2-(Alkyl/aryl) amino-6-benzylpyrimidin-4 (3H)-ones as inhibitors of wild-type and mutant HIV-1: enantioselectivity studies Journal Article

In: Journal of Medicinal Chemistry, 55 (7), pp. 3558-3562, 2012.

Abstract | Links | BibTeX | Tags: Biochemistry, COMBINEr, DABO, HIV-1, Molecular Docking, Molecular Modeling, NNRTIs, Organic Chemistry