Ralph E. Davidson

A BOILED‐Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules

Comprehensive computational design of ordered peptide macrocycles

Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1 H -pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia†Coordinates of the PDE10A crystal structures have been deposited in the Protein Data Bank for compound 1 (3HQW), 2 (3HQY), 3 (3HQW) and 9 (3HR1).

Transferrin receptor targeting by de novo sheet extension

Descending control of pain

Self-assembly of biotinylated poly(ethylene glycol)-poly(curcumin) for paclitaxel delivery

Species differences in drug transporters and implications for translating preclinical findings to humans

The Role of the Sodium-Taurocholate Cotransporting Polypeptide (NTCP) and of the Bile Salt Export Pump (BSEP) in Physiology and Pathophysiology of Bile Formation

Fluorine in Drug Design: A Case Study with Fluoroanisoles

Development, maintenance and disruption of the blood-brain barrier

Natural product-based nanoformulations for cancer therapy: Opportunities and challenges

Coexistence of passive and carrier-mediated processes in drug transport

Hypoxia-enhanced Blood-Brain Barrier Chip recapitulates human barrier function and shuttling of drugs and antibodies

The use of spirocyclic scaffolds in drug discovery

The neural basis of psychedelic action

Synthesis and Biological Studies of Novel Neurotensin(8–13) Mimetics

Decision trees to characterise the roles of permeability and solubility on the prediction of oral absorption

Organic Azides: An Exploding Diversity of a Unique Class of Compounds

An analysis of the attrition of drug candidates from four major pharmaceutical companies

Orally Absorbed Cyclic Peptides

pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

Fluorine and Fluorinated Motifs in the Design and Application of Bioisosteres for Drug Design

admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties

Improving the Odds of Success in Drug Discovery: Choosing the Best Compounds for in Vivo Toxicology Studies

Human kidney proximal tubule-on-a-chip for drug transport and nephrotoxicity assessment

Discovery and Optimization of a Novel Spiropyrrolidine Inhibitor of β-Secretase (BACE1) through Fragment-Based Drug Design

Trifluoromethyl Oxetanes: Synthesis and Evaluation as a tert‐Butyl Isostere

Spirocyclic Sulfamides as β-Secretase 1 (BACE-1) Inhibitors for the Treatment of Alzheimer’s Disease: Utilization of Structure Based Drug Design, WaterMap, and CNS Penetration Studies To Identify Centrally Efficacious Inhibitors

A Novel Approach for Predicting P-Glycoprotein (ABCB1) Inhibition Using Molecular Interaction Fields

Structural Modifications that Alter the P-Glycoprotein Efflux Properties of Compounds

Biochemical and Pharmacological Activities of SR 142948A, a New Potent Neurotensin Receptor Antagonist

Moving beyond Rules: The Development of a Central Nervous System Multiparameter Optimization (CNS MPO) Approach To Enable Alignment of Druglike Properties

Quantitative Assessment of the Impact of Fluorine Substitution on P-Glycoprotein (P-gp) Mediated Efflux, Permeability, Lipophilicity, and Metabolic Stability

Sodium taurocholate cotransporting polypeptide is a functional receptor for human hepatitis B and D virus

CNS Drug Design: Balancing Physicochemical Properties for Optimal Brain Exposure

Applications of Fluorine in Medicinal Chemistry

Predicting Efflux Ratios and Blood-Brain Barrier Penetration from Chemical Structure: Combining Passive Permeability with Active Efflux by P-Glycoprotein

A Medicinal Chemist’s Guide to Molecular Interactions

Role of Hepatic Transporters in the Disposition and Hepatotoxicity of a HER2 Tyrosine Kinase Inhibitor CP-724,714

In Vitro P-glycoprotein Assays to Predict the in Vivo Interactions of P-glycoprotein with Drugs in the Central Nervous System

Development of a new permeability assay using low‐efflux MDCKII cells

UK-73,093: A non-peptide neurotensin receptor antagonist