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Characterization of PD-L1 binding sites by a combined FMO/GRID-DRY approach

Journal of computer-aided molecular design, 2020-08, Vol.34 (8), p.897-914

2020

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Computational Methods in the Design of Anticancer Drugs

Pharmaceuticals (Basel, Switzerland), 2024-03, Vol.17 (4), p.404

2024

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Development of CDK4/6 Inhibitors: A Five Years Update

Molecules (Basel, Switzerland), 2021-03, Vol.26 (5), p.1488

2021

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Broad-Spectrum Activity of Small Molecules Acting against Influenza a Virus: Biological and Computational Studies

Pharmaceuticals (Basel, Switzerland), 2022-02, Vol.15 (3), p.301

2022

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Hampering the early aggregation of PrP-E200K protein by charge-based inhibitors: a computational study

Journal of computer-aided molecular design, 2021-06, Vol.35 (6), p.751-770

2021

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A Comprehensive Computational Insight into the PD-L1 Binding to PD-1 and Small Molecules

Pharmaceuticals (Basel, Switzerland), 2024-02, Vol.17 (3), p.316

2024

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Bovine Lactoferrin Prevents Influenza A Virus Infection by Interfering with the Fusogenic Function of Viral Hemagglutinin

Viruses, 2019-01, Vol.11 (1), p.51

2019

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Rational Design of Novel Peptidomimetics against Influenza A Virus: Biological and Computational Studies

International journal of molecular sciences, 2023-09, Vol.24 (18), p.14268

2023

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Antiviral Peptides as Anti-Influenza Agents

International journal of molecular sciences, 2022-10, Vol.23 (19), p.11433

2022

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Resveratrol Analogues as Dual Inhibitors of Monoamine Oxidase B and Carbonic Anhydrase VII: A New Multi-Target Combination for Neurodegenerative Diseases?

Molecules (Basel, Switzerland), 2022-11, Vol.27 (22), p.7816

2022

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Benzenesulfonamide derivatives as Vibrio cholerae carbonic anhydrases inhibitors: a computational-aided insight in the structural rigidity-activity relationships

Journal of enzyme inhibition and medicinal chemistry, 2023-12, Vol.38 (1), p.2201402-2201402

2023

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Coumarin-Based Dual Inhibitors of Human Carbonic Anhydrases and Monoamine Oxidases Featuring Amino Acyl and ( Pseudo )-Dipeptidyl Appendages: In Vitro and Computational Studies

Molecules (Basel, Switzerland), 2022-11, Vol.27 (22), p.7884

2022

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Non-Zinc-Binding Inhibitors of MMP-13: GRID-Based Approaches to Rationalize the Binding Process

Current topics in medicinal chemistry, 2016-01, Vol.16 (4), p.449-459

2016

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Identification of Anti-Influenza A Compounds Inhibiting the Viral Non-Structural Protein 1 (NS1) Using a Type I Interferon-Driven Screening Strategy

International journal of molecular sciences, 2023-06, Vol.24 (13), p.10495

2023

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Discovery of a Novel Tetrapeptide against Influenza A Virus: Rational Design, Synthesis, Bioactivity Evaluation and Computational Studies

Pharmaceuticals (Basel, Switzerland), 2021-10, Vol.14 (10), p.959

2021

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Phosphonate Emerging Zinc Binding Group in Matrix Metalloproteinase Inhibitors

Current drug targets, 2015-01, Vol.16 (14), p.1634-1644

2015

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(2-Aminobenzothiazole)-Methyl-1,1-Bisphosphonic Acids: Targeting Matrix Metalloproteinase 13 Inhibition to the Bone

Pharmaceuticals (Basel, Switzerland), 2021-01, Vol.14 (2), p.85

2021

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Benzothiazole Derivatives Endowed with Antiproliferative Activity in Paraganglioma and Pancreatic Cancer Cells: Structure–Activity Relationship Studies and Target Prediction Analysis

Pharmaceuticals (Basel, Switzerland), 2022-07, Vol.15 (8), p.937

2022

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An integrated computational approach to rationalize the activity of non-zinc-binding MMP-2 inhibitors

PloS one, 2012-11, Vol.7 (11), p.e47774

2012

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Design and Evaluation of Synthesized Pyrrole Derivatives as Dual COX‑1 and COX‑2 Inhibitors Using FB-QSAR Approach

ACS omega, 2023-12, Vol.8 (51), p.48884-48903

2023

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Seeking for Non-Zinc-Binding MMP-2 Inhibitors: Synthesis, Biological Evaluation and Molecular Modelling Studies

International journal of molecular sciences, 2016-10, Vol.17 (10), p.1768-1768

2016

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Het(aryl)isatin to het(aryl)aminoindoline scaffold hopping: A route to selective inhibitors of matrix metalloproteinases

Arabian journal of chemistry, 2022-01, Vol.15 (1), p.103492, Article 103492

2022

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An Effective Virtual Screening Protocol To Identify Promising p53–MDM2 Inhibitors

Journal of chemical information and modeling, 2016-06, Vol.56 (6), p.1216-1227

2016

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Bone-Seeking Matrix Metalloproteinase Inhibitors for the Treatment of Skeletal Malignancy

Pharmaceuticals (Basel, Switzerland), 2020-06, Vol.13 (6), p.113

2020

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Investigation of the N-BP Binding at FPPS by Combined Computational Approaches

Medicinal chemistry (Shp-sariqah, United Arab Emirates), 2015-01, Vol.11 (5), p.417-431

2015

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Characterization of PD-L1 binding sites by a combined FMO/GRID-DRY approach

Computational Methods in the Design of Anticancer Drugs

Development of CDK4/6 Inhibitors: A Five Years Update

Broad-Spectrum Activity of Small Molecules Acting against Influenza a Virus: Biological and Computational Studies

Hampering the early aggregation of PrP-E200K protein by charge-based inhibitors: a computational study

A Comprehensive Computational Insight into the PD-L1 Binding to PD-1 and Small Molecules

Bovine Lactoferrin Prevents Influenza A Virus Infection by Interfering with the Fusogenic Function of Viral Hemagglutinin

Rational Design of Novel Peptidomimetics against Influenza A Virus: Biological and Computational Studies

Antiviral Peptides as Anti-Influenza Agents

Resveratrol Analogues as Dual Inhibitors of Monoamine Oxidase B and Carbonic Anhydrase VII: A New Multi-Target Combination for Neurodegenerative Diseases?

Benzenesulfonamide derivatives as Vibrio cholerae carbonic anhydrases inhibitors: a computational-aided insight in the structural rigidity-activity relationships

Coumarin-Based Dual Inhibitors of Human Carbonic Anhydrases and Monoamine Oxidases Featuring Amino Acyl and ( Pseudo )-Dipeptidyl Appendages: In Vitro and Computational Studies

Non-Zinc-Binding Inhibitors of MMP-13: GRID-Based Approaches to Rationalize the Binding Process

Identification of Anti-Influenza A Compounds Inhibiting the Viral Non-Structural Protein 1 (NS1) Using a Type I Interferon-Driven Screening Strategy

Discovery of a Novel Tetrapeptide against Influenza A Virus: Rational Design, Synthesis, Bioactivity Evaluation and Computational Studies

Phosphonate Emerging Zinc Binding Group in Matrix Metalloproteinase Inhibitors

(2-Aminobenzothiazole)-Methyl-1,1-Bisphosphonic Acids: Targeting Matrix Metalloproteinase 13 Inhibition to the Bone

Benzothiazole Derivatives Endowed with Antiproliferative Activity in Paraganglioma and Pancreatic Cancer Cells: Structure–Activity Relationship Studies and Target Prediction Analysis

An integrated computational approach to rationalize the activity of non-zinc-binding MMP-2 inhibitors

Design and Evaluation of Synthesized Pyrrole Derivatives as Dual COX‑1 and COX‑2 Inhibitors Using FB-QSAR Approach

Seeking for Non-Zinc-Binding MMP-2 Inhibitors: Synthesis, Biological Evaluation and Molecular Modelling Studies

Het(aryl)isatin to het(aryl)aminoindoline scaffold hopping: A route to selective inhibitors of matrix metalloproteinases

An Effective Virtual Screening Protocol To Identify Promising p53–MDM2 Inhibitors

Bone-Seeking Matrix Metalloproteinase Inhibitors for the Treatment of Skeletal Malignancy

Investigation of the N-BP Binding at FPPS by Combined Computational Approaches

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