GSK1322322 is a potent inhibitor of peptide deformylase, an essential bacterial enzyme required for protein maturation. GSK1322322 is active against community-acquired skin and respiratory...
Interaction of Silymarin Flavonolignans with Organic Anion-Transporting Polypeptides
Organic anion-transporting polypeptides (OATPs) are multispecific transporters mediating the uptake of endogenous compounds and xenobiotics in tissues that are important for drug...
Simulations Plus Announces Quarterly Cash Dividend Increase
Company declares increased cash dividend of $0.03 per share
The Role of Paracellular and Carrier-Mediated Pathways in the Nonlinear Absorption of BCS Class III Substrates for Influx and Efflux Transporters
Mechanistic oral absorption simulation of nonlinear dose dependence for BCS Class III transporter substrates is an important objective in preclinical development of NCEs as well as in generic formulation…
How a tax begat bebop.
During World War 2, a federal excise tax was imposed on supper clubs to raise funds from their wealthy patrons. According to Eric Felton in The Wall Street Journal, this so-called cabaret tax imposed a 30% tax at venues that featured dancing to a live band and served food. Clubs that provided instrumental music with no dancing were exempt. Within 5 years, the big band sound was dead, replaced by “a new and undanceable jazz performed primarily by small instrumental groups – bebop. . ..” The cabaret tax was finally eliminated in 1965, but by then the rock-and-roll revolution was well underway.
Clinical Pharmacokinetics of Buffered Propranolol Sublingual Tablet (Promptol™)—Application of a New “Physiologically Based” Model to Assess Absorption and Disposition
Sublingual administration of certain buffered propranolol may improve the rate and extent of absorption compared to oral administration.
Docking and in silico ADMET studies of noraristeromycin, curcumin and its derivatives with Plasmodium falciparum SAH hydrolase: A molecular drug target against malaria
The Plasmodium falciparum S-adenosyl-L-homocysteine hydrolase (pfSAHH) enzyme has been considered as a potential chemotherapeutic target against malaria due to the amino acid differences...
Computational Exploration of the Role of a Prototypical Damage-Associated Molecular Pattern (DAMP) Molecule in Acetaminophen Hepatotoxicity
Drug-induced liver injury (DILI) is a major source of acute liver failure and is one of the leading causes of drug development failures. As such, there remains an important unmet need for earlier...
Simulations Plus Reports Second Quarter and First Six Months FY2013 Financial Results
Second quarter net sales increase 11.8%; net income up 26.5%
Simulations Plus Sets Date for 2nd Quarter 2013 Earnings Release and Conference Call
Conference Call to be on Wednesday, April 10, at 4:30 PM ET
An Omission a Recommendation and a Prediction
The President’s Council of Advisors on Science and Technology (PCAST) recently issued a report to the President of the United States on propelling innovation in drug discovery, development, and evaluation [1]. It is well worth your time to read the entire report. The Council stated that the pace of new therapeutic development has not kept up with the explosion in scientific knowledge of cancer, heart disease, diabetes, and other devastating diseases. Their recommended actions have the audacious goal of doubling, over the next decade, the rate of invention of new medicines for patients, while increasing drug safety.
In Silico Metabolism Webinar
The Metabolism Module in ADMET Predictor™ contains in silico models that classify compounds as substrates and/or inhibitors of the major CYP isoforms, while also predicting likely sites of metabolism and...
Interactions of laulimalide, peloruside, and their derivatives with the isoforms of ß-tubulin
Interactions of laulimalide, peloruside, and their derivatives with the isoforms of β-tubulin.
Predicting Pharmacokinetic Profiles Using In Silico Derived Parameters
Human pharmacokinetic (PK) predictions play a critical role in assessing the quality of potential clinical candidates where the accurate estimation of clearance, volume of distribution, bioavailability...
In vitro to in vivo extrapolation and physiologically based modeling of cytochrome P450 mediated metabolism in beagle dog gut wall and liver
The beagle dog is a widely used in vivo model to guide clinical formulation development and to explore the potential for food effects.
Mechanistic Investigation of Negative Food Effect for BCS Class III Compounds in Solid Dosage Forms
Much interest has been expressed in this work on the role of water diffusivity in the release media as a new parameter for predicting drug release.
Things to worry about
Here is computer scientist David Gelernter’s [1] answer to the annual question “2013 : What *Should* We Be Worried About?” at the website Edge [2].
Matched Molecular Pairs Webinar
This webinar describes algorithms for the rapid and automatic extraction of Matched Molecular Pairs (MMPs) from large chemical data sets and for converting these pairs into structural transformation rules that...
Pharmacokinetic Profile of an Ascending-Dose, Estrogen/Progestin Combination Oral Contraceptive
The estrogen component of oral contraceptives provides stability to the endometrium so that irregular shedding and unwanted breakthrough bleeding are minimized. An ascending-dose, extended-regimen…
The PK/PD Relationship of Ethinyl Estradiol and Unscheduled Bleeding or Spotting for an Ascending-dose, Estrogen/Progestin Combination Oral Contraceptive (OC)
The estrogen component of OCs provides stability to the endometrium so that irregular shedding and unwanted breakthrough bleeding are minimized. An ascending-dose, extended-regimen ethinyl estradiol…