The role of protein 3D-structures in the drug discovery process

Investigating the Binding Mode of a Naphthol-Based Inhibitor Targeting SARS-CoV-2 Main Protease.

ChemMedChem·2026

Structure-based macrocyclization of α-ketoamides leads to potent inhibitors of coronaviral and enteroviral proteases.

Communications chemistry·2026

Enhancing the Outcome of Crystallographic Fragment Screening by Choosing the Optimal Protein Crystal Form.

Small science·2026

CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2.

Journal of chemical information and modeling·2026

Why is the Omicron main protease of SARS-CoV-2 less stable than its wild-type counterpart? A crystallographic, biophysical, and theoretical study.

hLife·2026

Thiazolyl 4-carboxylate ketone as a new warhead for a highly potent SARS-CoV-2 main protease inhibitor.

European journal of medicinal chemistry·2025

Forensic toxicology.

EXS·2010

Biological warfare agents.

EXS·2010

Chemical warfare agents.

EXS·2010

Drugs of abuse: management of intoxication and antidotes.

EXS·2010

Biological testing for drugs of abuse.

EXS·2010

Inhalation toxicology.

EXS·2010

Expanding Quantitative Medicines' Reach: Systems and Methods to Enhance R&D Productivity and Decision-Making in the Agentic-Era.

Clinical and translational science·2026

Physiologically Based Pharmacokinetic Modeling to Assess Transporter-Mediated Drug-Drug Interactions in Support of Labeling Recommendations for Zavegepant Nasal Spray.

Clinical pharmacology and therapeutics·2026

Beyond NAMs versus animal models: Context of use as the governing framework for integrated nonclinical strategies in drug development.

Regulatory toxicology and pharmacology : RTP·2026

Structural determinants of Mac1 inhibition: Lessons from ligand binding patterns.

International journal of biological macromolecules·2026

A deep learning framework for oligopeptide candidate discovery across metabolism-related contexts.

Cell reports methods·2026

Structural basis of MRP2 interactions with substrate and inhibitor.

Structure (London, England : 1993)·2026

Related Experiment Videos

The role of protein 3D-structures in the drug discovery process

Related Concept Videos

Investigating the Binding Mode of a Naphthol-Based Inhibitor Targeting SARS-CoV-2 Main Protease.

Structure-based macrocyclization of α-ketoamides leads to potent inhibitors of coronaviral and enteroviral proteases.

Enhancing the Outcome of Crystallographic Fragment Screening by Choosing the Optimal Protein Crystal Form.

CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2.

Why is the Omicron main protease of SARS-CoV-2 less stable than its wild-type counterpart? A crystallographic, biophysical, and theoretical study.

Thiazolyl 4-carboxylate ketone as a new warhead for a highly potent SARS-CoV-2 main protease inhibitor.

Forensic toxicology.

Biological warfare agents.

Chemical warfare agents.

Drugs of abuse: management of intoxication and antidotes.

Biological testing for drugs of abuse.

Inhalation toxicology.

Expanding Quantitative Medicines' Reach: Systems and Methods to Enhance R&D Productivity and Decision-Making in the Agentic-Era.

Physiologically Based Pharmacokinetic Modeling to Assess Transporter-Mediated Drug-Drug Interactions in Support of Labeling Recommendations for Zavegepant Nasal Spray.

Beyond NAMs versus animal models: Context of use as the governing framework for integrated nonclinical strategies in drug development.

Structural determinants of Mac1 inhibition: Lessons from ligand binding patterns.

A deep learning framework for oligopeptide candidate discovery across metabolism-related contexts.

Structural basis of MRP2 interactions with substrate and inhibitor.

Related Experiment Videos

The role of protein 3D-structures in the drug discovery process

Related Concept Videos

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