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8 Results Found

  • Article
  • Open Access
11 Citations
5,618 Views
15 Pages

Off-Target-Based Design of Selective HIV-1 PROTEASE Inhibitors

  • Gabriele La Monica,
  • Antonino Lauria,
  • Alessia Bono and
  • Annamaria Martorana

The approval of the first HIV-1 protease inhibitors (HIV-1 PRIs) marked a fundamental step in the control of AIDS, and this class of agents still represents the mainstay therapy for this illness. Despite the undisputed benefits, the necessary lifelon...

(This article belongs to the Special Issue Application of In Silico Techniques in Drug Design)
  • Article
  • Open Access
9 Citations
4,649 Views
26 Pages

Antiproliferative Activity Predictor: A New Reliable In Silico Tool for Drug Response Prediction against NCI60 Panel

  • Annamaria Martorana,
  • Gabriele La Monica,
  • Alessia Bono,
  • Salvatore Mannino and ,
  • Silvestre Buscemi,
  • Antonio Palumbo Piccionello,
  • Carla Gentile,
  • Antonino Lauria and
  • Daniele Peri
  • + 4 authors+ 0 author

19 November 2022

In vitro antiproliferative assays still represent one of the most important tools in the anticancer drug discovery field, especially to gain insights into the mechanisms of action of anticancer small molecules. The NCI-DTP (National Cancer Institute...

(This article belongs to the Special Issue Data Mining and Bioinformatic Tools for Health)
  • Article
  • Open Access
17 Citations
6,605 Views
21 Pages

In Silico Identification of Small Molecules as New Cdc25 Inhibitors through the Correlation between Chemosensitivity and Protein Expression Pattern

  • Antonino Lauria,
  • Annamaria Martorana,
  • Gabriele La Monica,
  • Salvatore Mannino and ,
  • Giuseppe Mannino,
  • Daniele Peri and
  • Carla Gentile
  • + 2 authors+ 0 author

The cell division cycle 25 (Cdc25) protein family plays a crucial role in controlling cell proliferation, making it an excellent target for cancer therapy. In this work, a set of small molecules were identified as Cdc25 modulators by applying a mixed...

(This article belongs to the Special Issue Application of In Silico Techniques in Drug Design)
  • Hypothesis
  • Open Access
16 Citations
5,598 Views
15 Pages

26 July 2020

COVID-19 is a pandemic health emergency faced by the entire world. The clinical treatment of the severe acute respiratory syndrome (SARS) CoV-2 is currently based on the experimental administration of HIV antiviral drugs, such as lopinavir, ritonavir...

(This article belongs to the Special Issue Drug-Repositioning Opportunities for Antiviral Therapy)
  • Article
  • Open Access
2 Citations
3,127 Views
21 Pages

In Silico Design of Dual Estrogen Receptor and Hsp90 Inhibitors for ER-Positive Breast Cancer Through a Mixed Ligand/Structure-Based Approach

  • Gabriele La Monica,
  • Federica Alamia,
  • Alessia Bono,
  • Francesco Mingoia and ,
  • Annamaria Martorana and
  • Antonino Lauria
  • + 1 author+ 0 author

21 December 2024

Breast cancer remains one of the most prevalent and lethal malignancies in women, particularly the estrogen receptor-positive (ER+) subtype, which accounts for approximately 70% of cases. Traditional endocrine therapies, including aromatase inhibitor...

(This article belongs to the Section Medicinal Chemistry)
  • Article
  • Open Access
13 Citations
3,445 Views
23 Pages

In Silico Mixed Ligand/Structure-Based Design of New CDK-1/PARP-1 Dual Inhibitors as Anti-Breast Cancer Agents

  • Alessia Bono,
  • Gabriele La Monica,
  • Federica Alamia,
  • Francesco Mingoia and ,
  • Carla Gentile,
  • Daniele Peri,
  • Antonino Lauria and
  • Annamaria Martorana
  • + 3 authors+ 0 author

6 September 2023

CDK-1 and PARP-1 play crucial roles in breast cancer progression. Compounds acting as CDK-1 and/or PARP-1 inhibitors can induct cell death in breast cancer with a selective synthetic lethality mechanism. A mixed treatment by means of CDK-1 and PARP-1...

(This article belongs to the Section Molecular Informatics)
  • Article
  • Open Access
9 Citations
3,320 Views
20 Pages

In Silico Design of New Dual Inhibitors of SARS-CoV-2 MPRO through Ligand- and Structure-Based Methods

  • Alessia Bono,
  • Antonino Lauria,
  • Gabriele La Monica,
  • Federica Alamia and ,
  • Francesco Mingoia and
  • Annamaria Martorana
  • + 1 author+ 0 author

The viral main protease is one of the most attractive targets among all key enzymes involved in the life cycle of SARS-CoV-2. Considering its mechanism of action, both the catalytic and dimerization regions could represent crucial sites for modulatin...

(This article belongs to the Section Molecular Pathology, Diagnostics, and Therapeutics)
  • Abstract
  • Open Access
1,593 Views
1 Page

The 1,2,3-Triazole ring has remarkable importance in medicinal chemistry due to its unique biological properties, such as metabolic stability and ability to form hydrogen bonds. Several biological activities had been reported for this structural nucl...

(This article belongs to the Proceedings of The 8th International Electronic Conference on Medicinal Chemistry)