Three-Dimensional Quantitative Structure–Activity Relationship Analysis of Inhibitors of Human and Rat Cytochrome P4503A Enzymes

Three-Dimensional Quantitative Structure–Activity Relationship Analysis of Inhibitors of Human and Rat Cytochrome P4503A Enzymes

Publication: Drug Metab Pharmacokinet
Software: ADMET Predictor®

Cytochrome P450 3A4 (CYP3A4) is a member of the CYP family and is an important enzyme in drug metabolism.

Case Studies for Practical Food Effect Assessments across BCS/BDDCS Class Compounds using In Silico, In Vitro, and Preclinical In Vivo Data

Case Studies for Practical Food Effect Assessments across BCS/BDDCS Class Compounds using In Silico, In Vitro, and Preclinical In Vivo Data

Authors: Heimbach T, Xia B, Lin TH, He H
Publication: AAPS J
Software: GastroPlus®

Practical food effect predictions and assessments were described using in silico, in vitro, and/or in vivo preclinical data to anticipate food effects...

Structure-Activity-Selectivity Relations on the Keto-Pyrrolyl-Difluorophenol Aldose Reductase Inhibitory Scaffold

Structure-Activity-Selectivity Relations on the Keto-Pyrrolyl-Difluorophenol Aldose Reductase Inhibitory Scaffold

Publication: Pharmakeftiki

In recent years it has been observed worldwide a striking increase of cases of diabetes mellitus, which tend to attain an epidemic prevalence.

MembranePlus™: A Tool to Study in vitro/in vivo Transport and Lysosomal Trapping

MembranePlus™: A Tool to Study in vitro/in vivo Transport and Lysosomal Trapping

Division: PBPK

To develop a mechanistic mathematical model for analysis of in vitro permeability assays that accounts for all mechanisms contributing to observed apparent permeability: passive paracellular and…

A Computational Drug-Target Network for Yuanhu Zhitong Prescription

A Computational Drug-Target Network for Yuanhu Zhitong Prescription

Publication: Evid Based Complement Alternat Med

Yuanhu Zhitong prescription (YZP) is a typical and relatively simple traditional Chinese medicine (TCM), widely used in the clinical treatment of headache, gastralgia, and dysmenorrhea.

Virtual Screening and Biological Evaluation of Inhibitors Targeting the XPA-ERCC1 Interaction

Virtual Screening and Biological Evaluation of Inhibitors Targeting the XPA-ERCC1 Interaction

Publication: PLoS One
Software: ADMET Predictor®

Nucleotide excision repair (NER) removes many types of DNA lesions including those induced by UV radiation and platinum-based therapy.

Don’t shoot.

Don’t shoot.

Criminologist David M. Kennedy’s (1) strategy for reducing gang violence has dramatically reduced youth homicide rates nationwide. Dubbed the “Boston Miracle,” this strategy brings together all the key actors in a neighborhood from the police and community members to gang members, drug dealers, and their mothers and grandmothers to openly discuss their issues. Boston’s youth murders were cut by two thirds after installation of the program (2).

Application of ED-optimality to screening experiments for analgesic compounds in an experimental model of neuropathic pain

Application of ED-optimality to screening experiments for analgesic compounds in an experimental model of neuropathic pain

Publication: J Pharmacokinet Pharmacodyn
Division: PBPK

In spite of the evidence regarding high variability in the response to evoked pain, little attention has been paid to its impact on the screening of drugs for inflammatory and neuropathic pain.

The Worst Job In Pharma

The Worst Job In Pharma

Being the Team Leader of an R&D team might not be down at the level of some of the jobs on Mike Rowe’s Dirty Jobs on TV’s Discovery Channel, but I nominate it as the worst job in Pharma.

Toxicological considerations of acetylcholinesterase reactivators

Toxicological considerations of acetylcholinesterase reactivators

Publication: Expert Opin Drug Metab Toxicol
Software: ADMET Predictor®

The more or less systematic studies on the specific activity of oximes as reactivators of acetylcholinesterase (AChE) inhibited by organophosphorus (OP) compounds...