Molecular Determinants of Cell Permeability Beyond the Rule of 5

Molecular Determinants of Cell Permeability Beyond the Rule of 5

Authors: Matsson P, Lawless M
Software: ADMET Predictor®
Division: PBPK

Molecules that violate conventional guidelines for druglikeness—such as the Rule-of-5—are of increasing interest as chemical probes and drugs for intractable pharmacological targets.

PBPK Absorption Modeling of Food Effect and Bioequivalence in Fed State for Two Formulations with Crystalline and Amorphous Forms of BCS 2 Class Drug in Generic Drug Development

PBPK Absorption Modeling of Food Effect and Bioequivalence in Fed State for Two Formulations with Crystalline and Amorphous Forms of BCS 2 Class Drug in Generic Drug Development

Publication: AAPS PharmSciTech
Software: GastroPlus®

Prediction of the effect of food on drug’s pharmacokinetics using modeling and simulation could cause difficulties due to complex in vivo processes.

Design, synthesis, biological evaluation, structure-activity relationship, and toxicity of clinafloxacin-azole conjugates as novel antitubercular agents

Design, synthesis, biological evaluation, structure-activity relationship, and toxicity of clinafloxacin-azole conjugates as novel antitubercular agents

Authors: , Ren Z, Fan L, Wei J, Tang X, Xu X, Yang D
Publication: Bioorg Med Chem
Software: ADMET Predictor®

Based on the advantages of azole molecules and fluoroquinolone drugs, we designed and synthesized 34 clinafloxacin-azole conjugates using fragment-based drug design and drug combination principles.

Symptomatic cardiotoxicity associated with 5-fluorouracil

Symptomatic cardiotoxicity associated with 5-fluorouracil

Publication: Pharmacotherapy

A prospective cohort study was conducted in 35 hospitals with oncology units to determine the incidence of symptomatic cardiotoxicity in patients receiving...

Rubik’s Cube of Siderophore Assembly Established from MixedSubstrate Precursor-Directed Biosynthesis

Rubik’s Cube of Siderophore Assembly Established from MixedSubstrate Precursor-Directed Biosynthesis

Publication: ACS Omega
Software: ADMET Predictor®

Precursor-directed biosynthesis (PDB) is a useful microbiological technique that conscripts the native biosynthetic machinery of an organism, often a bacterium, to produce analogues of secondary metabolites.