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Unlocking the Potential of HK2 in Cancer Metabolism and Therapeutics

Current medicinal chemistry, 2019-01, Vol.26 (41), p.7285

2019

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Inferring molecular inhibition potency with AlphaFold predicted structures

Scientific reports, 2024-04, Vol.14 (1), p.8252-8252, Article 8252

2024

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Author Correction: Inferring molecular inhibition potency with AlphaFold predicted structures

Scientific reports, 2024-06, Vol.14 (1), p.13268-1

2024

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Revisiting Proteasome Inhibitors: Molecular Underpinnings of Their Development, Mechanisms of Resistance and Strategies to Overcome Anti-Cancer Drug Resistance

Molecules (Basel, Switzerland), 2022-03, Vol.27 (7), p.2201

2022

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Computational Approaches for the Discovery of Human Proteasome Inhibitors: An Overview

Molecules (Basel, Switzerland), 2016-07, Vol.21 (7), p.927

2016

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Targeting COPD: advances on low-molecular-weight inhibitors of human neutrophil elastase

Medicinal research reviews, 2013-06, Vol.33 (S1), p.E73-E101

2013

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Unveiling Novel ERCC1-XPF Complex Inhibitors: Bridging the Gap from In Silico Exploration to Experimental Design

International journal of molecular sciences, 2024-01, Vol.25 (2), p.1246

2024

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Synthesis of Computationally Designed 2,5(6)-Benzimidazole Derivatives via Pd-Catalyzed Reactions for Potential E. coli DNA Gyrase B Inhibition

Molecules (Basel, Switzerland), 2021-03, Vol.26 (5), p.1326

2021

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Cyclodextrin solubilization and complexation of antiretroviral drug lopinavir: In silico prediction; Effects of derivatization, molar ratio and preparation method

Carbohydrate polymers, 2020-01, Vol.227, p.115287-115287, Article 115287

2020

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Brain endothelial STING1 activation by Plasmodium -sequestered heme promotes cerebral malaria via type I IFN response

Proceedings of the National Academy of Sciences - PNAS, 2022-09, Vol.119 (36), p.1-e2206327119

2022

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Computational Modulation of the V3 Region of Glycoprotein gp125 of HIV-2

International journal of molecular sciences, 2021-02, Vol.22 (4), p.1948

2021

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Chemical Patterns of Proteasome Inhibitors: Lessons Learned from Two Decades of Drug Design

International journal of molecular sciences, 2019-10, Vol.20 (21), p.5326

2019

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Disclosing the antitumour potential of the marine bromoditerpene sphaerococcenol A on distinct cancer cellular models

Biomedicine & pharmacotherapy, 2022-05, Vol.149, p.112886-112886, Article 112886

2022

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S‐Glutathionylation of Keap1: a new role for glutathione S‐transferase pi in neuronal protection

FEBS letters, 2016-05, Vol.590 (10), p.1455-1466

2016

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Bromoditerpenes from the Red Seaweed Sphaerococcus coronopifolius as Potential Cytotoxic Agents and Proteasome Inhibitors and Related Mechanisms of Action

Marine drugs, 2022-10, Vol.20 (10), p.652

2022

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Using Machine Learning and Molecular Docking to Leverage Urease Inhibition Data for Virtual Screening

International journal of molecular sciences, 2023-05, Vol.24 (9), p.8180

2023

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Exploring the Chemical Space of Urease Inhibitors to Extract Meaningful Trends and Drivers of Activity

Journal of chemical information and modeling, 2022-08, Vol.62 (15), p.3535-3550

2022

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Harnessing Protein-Ligand Interaction Fingerprints to Predict New Scaffolds of RIPK1 Inhibitors

Molecules (Basel, Switzerland), 2022-07, Vol.27 (15), p.4718

2022

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Targeting leucine-rich repeat kinase 2 (LRRK2) for the treatment of Parkinson's disease

Future medicinal chemistry, 2019-08, Vol.11 (16), p.1953-1977

2019

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Decoding the secrets: how conformational and structural regulators inhibit the human 20S proteasome

Frontiers in chemistry, 2024-01, Vol.11, p.1322628-1322628

2024

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Therapeutic targeting of PD-1/PD-L1 blockade by novel small-molecule inhibitors recruits cytotoxic T cells into solid tumor microenvironment

Journal for immunotherapy of cancer, 2022-07, Vol.10 (7), p.e004695

2022

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Structure–Function Analysis of Immune Checkpoint Receptors to Guide Emerging Anticancer Immunotherapy

Journal of medicinal chemistry, 2018-12, Vol.61 (24), p.10957-10975

2018

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Exploring EZH2-Proteasome Dual-Targeting Drug Discovery through a Computational Strategy to Fight Multiple Myeloma

Molecules (Basel, Switzerland), 2021-09, Vol.26 (18), p.5574

2021

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New Scaffolds of Proteasome Inhibitors: Boosting Anticancer Potential by Exploiting the Synergy of In Silico and In Vitro Methodologies

Pharmaceuticals (Basel, Switzerland), 2023-08, Vol.16 (8), p.1096

2023

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Development of New Drugs to Treat Tuberculosis Based on the Dinitrobenzamide Scaffold

Pharmaceuticals (Basel, Switzerland), 2024-05, Vol.17 (5), p.559

2024

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Unlocking the Potential of HK2 in Cancer Metabolism and Therapeutics

Inferring molecular inhibition potency with AlphaFold predicted structures

Author Correction: Inferring molecular inhibition potency with AlphaFold predicted structures

Revisiting Proteasome Inhibitors: Molecular Underpinnings of Their Development, Mechanisms of Resistance and Strategies to Overcome Anti-Cancer Drug Resistance

Computational Approaches for the Discovery of Human Proteasome Inhibitors: An Overview

Targeting COPD: advances on low-molecular-weight inhibitors of human neutrophil elastase

Unveiling Novel ERCC1-XPF Complex Inhibitors: Bridging the Gap from In Silico Exploration to Experimental Design

Synthesis of Computationally Designed 2,5(6)-Benzimidazole Derivatives via Pd-Catalyzed Reactions for Potential E. coli DNA Gyrase B Inhibition

Cyclodextrin solubilization and complexation of antiretroviral drug lopinavir: In silico prediction; Effects of derivatization, molar ratio and preparation method

Brain endothelial STING1 activation by Plasmodium -sequestered heme promotes cerebral malaria via type I IFN response

Computational Modulation of the V3 Region of Glycoprotein gp125 of HIV-2

Chemical Patterns of Proteasome Inhibitors: Lessons Learned from Two Decades of Drug Design

Disclosing the antitumour potential of the marine bromoditerpene sphaerococcenol A on distinct cancer cellular models

S‐Glutathionylation of Keap1: a new role for glutathione S‐transferase pi in neuronal protection

Bromoditerpenes from the Red Seaweed Sphaerococcus coronopifolius as Potential Cytotoxic Agents and Proteasome Inhibitors and Related Mechanisms of Action

Using Machine Learning and Molecular Docking to Leverage Urease Inhibition Data for Virtual Screening

Exploring the Chemical Space of Urease Inhibitors to Extract Meaningful Trends and Drivers of Activity

Harnessing Protein-Ligand Interaction Fingerprints to Predict New Scaffolds of RIPK1 Inhibitors

Targeting leucine-rich repeat kinase 2 (LRRK2) for the treatment of Parkinson's disease

Decoding the secrets: how conformational and structural regulators inhibit the human 20S proteasome

Therapeutic targeting of PD-1/PD-L1 blockade by novel small-molecule inhibitors recruits cytotoxic T cells into solid tumor microenvironment

Structure–Function Analysis of Immune Checkpoint Receptors to Guide Emerging Anticancer Immunotherapy

Exploring EZH2-Proteasome Dual-Targeting Drug Discovery through a Computational Strategy to Fight Multiple Myeloma

New Scaffolds of Proteasome Inhibitors: Boosting Anticancer Potential by Exploiting the Synergy of In Silico and In Vitro Methodologies

Development of New Drugs to Treat Tuberculosis Based on the Dinitrobenzamide Scaffold

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