The allosteric inhibitor ABL001 enables dual targeting of BCR–ABL1

Andrew A. Wylie, Joseph Schoepfer, Wolfgang Jahnke, +25

Nature

Molecular PharmacologyDrug TargetMedicineImmunologyAllosteric Inhibitor Abl001 +1

Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1

Joseph Schoepfer, Wolfgang Jahnke, Giuliano Berellini, +24

Journal of Medicinal Chemistry

Drug TargetMixed-phenotype Acute LeukemiaMolecular BiologyTumor BiologyMyeloid Neoplasia +14

Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds

Franco Lombardo, Giuliano Berellini, R. Scott Obach

Drug Metabolism and Disposition

Englerin A Agonizes the TRPC4/C5 Cation Channels to Inhibit Tumor Cell Line Proliferation

Cheryl Carson, Pichai Raman, Jennifer Tullai, +29

PLoS ONE

Trpc4/c5 Cation ChannelsTrpc4 ChannelCancer BiologyCellular PhysiologyTumor Biology +14

Comprehensive Assessment of Human Pharmacokinetic Prediction Based on In Vivo Animal Pharmacokinetic Data, Part 2: Clearance

Franco Lombardo, Nigel J. Waters, Upendra A. Argikar, +7

The Journal of Clinical Pharmacology

Physiologically-based Pharmacokinetic ModelingPharmacodynamic ModelingHuman Pharmacokinetic PredictionPharmacological StudyBioanalysis +15

In Silico Prediction of Volume of Distribution in Human Using Linear and Nonlinear Models on a 669 Compound Data Set

Giuliano Berellini, Clayton Springer, Nigel J. Waters, +1

Journal of Medicinal Chemistry

Design and synthesis of trans 2-(furan-2-yl)vinyl heteroaromatic iodides with antitumour activity

Cosimo G. Fortuna, Vincenza Barresi, Giuliano Berellini, +1

Bioorganic & Medicinal Chemistry

Chemical EngineeringHeteroaromatic IodidesEngineeringOrganic ChemistryChemistry +4

Comprehensive Assessment of Human Pharmacokinetic Prediction Based on In Vivo Animal Pharmacokinetic Data, Part 1: Volume of Distribution at Steady State

Franco Lombardo, Nigel J. Waters, Upendra A. Argikar, +7

The Journal of Clinical Pharmacology

Physiologically-based Pharmacokinetic ModelingLaboratory Animal StudyTranslational MedicineSteady StatePharmacological Study +17

In silico Prediction of Total Human Plasma Clearance

Giuliano Berellini, Nigel J. Waters, Franco Lombardo

Journal of Chemical Information and Modeling

MeasurementBiomedical EngineeringPharmacodynamic ModelingHuman Plasma ClearanceMedicinal Chemistry +16

Clearance Mechanism Assignment and Total Clearance Prediction in Human Based upon in Silico Models

Franco Lombardo, R. Scott Obach, Manthena V. S. Varma, +2

Journal of Medicinal Chemistry

EngineeringMachine LearningData ScienceComputational MedicineComputational Biology +12