The Value of a Conceptual Schema

The Value of a Conceptual Schema

This year represents the 60th anniversary of the publication of the famous paper by James Watson and Francis Crick proposing a structure for DNA. This podcast from Nature contains interviews with scientists who were actively involved in the race to work out the structure. Listen to the podcast. At approximately 7 minutes into the podcast, there is a remarkable description of Watson’s first look at the classic x-ray crystallography picture of DNA. Watson knew immediately what the picture represented because Crick had, two years previously, published a theoretical paper about what a helical diffraction pattern
would look like.

3D QSAR and pharmacophore study of curcuminoids and curcumin analogs: Interaction with thioredoxin reductase

3D QSAR and pharmacophore study of curcuminoids and curcumin analogs: Interaction with thioredoxin reductase

Publication: Interdiscip Sci
Software: ADMET Predictor®

Curcumin is the yellow pigment of Curcuma longa that irreversibly inhibits the activity of thioredoxin reductase (TrxR) and forms adduct.

The Inspiration of Great Architecture

The Inspiration of Great Architecture

Buffalo is home to truly spectacular architecture. We have many landmark buildings, historic sites, and cultural attractions and to appreciate them is to be reminded that Western New York was once at the cutting edge of architecture and landscape design that served to make Buffalo an aesthetically pleasing place to live and work. These works of art were conceived and built during a time of remarkable wealth generated as a result of Buffalo’s location at the western terminus of the Erie Canal and a transportation hub for goods moving between the Mid-West and East Coast.

Preoperative androgen deprivation therapy for localized prostate cancer: delayed biochemical recurrence in high-risk disease

Preoperative androgen deprivation therapy for localized prostate cancer: delayed biochemical recurrence in high-risk disease

Publication: Clin Genitourin Cancer

Background: The role of preoperative ADT for localized prostate cancer is controversial; prospective assessments have yielded varying results. We sought to define a subset...

Prediction of Valsartan Pharmacokinetics in Pediatric Population using Physiologically Based Pharmacokinetic (PBPK) Model

Prediction of Valsartan Pharmacokinetics in Pediatric Population using Physiologically Based Pharmacokinetic (PBPK) Model

Conference: AAPS
Software: GastroPlus®
Division: PBPK

A method for transporter-based in vitro-in vivo extrapolation (IVIVE) was previously developed and demonstrated by predicting valsartan PK after i.v.administration [1]. The purpose of this study was to…

MembranePlus™: A Tool to Study in vitro/in vivo Transport and Drug-Drug Interaction

MembranePlus™: A Tool to Study in vitro/in vivo Transport and Drug-Drug Interaction

Conference: AAPS
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…

Simulating the Disposition of Budesonide from Dry Powder Inhalers (DPIs) and Nebulizers

Simulating the Disposition of Budesonide from Dry Powder Inhalers (DPIs) and Nebulizers

Conference: AAPS
Software: GastroPlus®
Division: PBPK

Objective: To simulate and predict the absorption and pharmacokinetics (PK) of budesonide following orally‐inhaled (OIN) i.e. respiratory administration across multiple formulations and/or devices.

Modeling Disposition of Budesonide Following Intravenous and Oral Administration in Healthy Adult Subjects

Modeling Disposition of Budesonide Following Intravenous and Oral Administration in Healthy Adult Subjects

Conference: AAPS
Software: GastroPlus®
Division: PBPK

Objective: To simulate and predict the absorption and pharmacokinetics(PK) of budesonide following intravenous(IV) and oral(PO) administrations.

Population Pharmacokinetic Evaluation of Eslicarbazepine Acetate for Adjunctive Therapy in Refractory Partial Onset Seizures

Population Pharmacokinetic Evaluation of Eslicarbazepine Acetate for Adjunctive Therapy in Refractory Partial Onset Seizures

Conference: AAPS

Eslicarbazepine acetate (ESL) is a once-daily antiepileptic drug (AED) that is converted to eslicarbazepine, the primary active metabolite of ESL, after oral administration. A population…

Assessing the Risk of pH-Dependent Absorption for New Molecular Entities: A Novel in Vitro Dissolution Test, Physicochemical Analysis, and Risk Assessment Strategy

Assessing the Risk of pH-Dependent Absorption for New Molecular Entities: A Novel in Vitro Dissolution Test, Physicochemical Analysis, and Risk Assessment Strategy

Publication: Mol Pharm
Software: GastroPlus®

Weak base therapeutic agents can show reduced absorption or large pharmacokinetic variability when coadministered with pH-modifying agents, or in achlorhydria disease states, due to...

Purely in-silico BCS classification: Science based quality standards for the world’s drugs

Purely in-silico BCS classification: Science based quality standards for the world’s drugs

Publication: Mol Pharm
Software: ADMET Predictor®

BCS classification is a vital tool in the development of both generic and innovative drug products. The purpose of this work was to provisionally classify the world's top selling oral drugs...