Software based approaches for drug designing and development: A systematic review on commonly used software and its applications.

Software based approaches for drug designing and development: A systematic review on commonly used software and its applications.

Authors: Jamkhande P, Ghante MH, Ajgunde BR
Publication: Bulletin of the Faculty of Pharmacy, Cairo University
Keywords: absorption, Computational methods, dissolution, docking, drug discovery, formulation, molecular modeling, Structural activity relationship
Software: DDDPlus™, GastroPlus®

Drug discovery include drug designing and development, is a multifarious and expensive endeavor, where least number of drugs that pass the clinical trials makes it to market.

Phase 1 and pharmacokinetic study of LY3007113, a p38 MAPK inhibitor, in patients with advanced cancer

Phase 1 and pharmacokinetic study of LY3007113, a p38 MAPK inhibitor, in patients with advanced cancer

Authors: Goldman JW, Rosen LS, Tolcher AW, Papadopoulos K, Beeram M, Shi P, Pitou C, Bell RL, Kulanthaivel P, Zhang X, Fink A, Chan EM, Farrington D, Patnaik A
Publication: Investigational New Drugs
Keywords: creatine phosphokinase, LY3007113, MAPK-activated protein kinase 2, p38 MAPK inhibitor LY3007113, stomatitis
Division: PBPK

Background The signaling protein p38 mitogen-activated protein kinase (MAPK) regulates the tumor cell microenvironment, modulating cell survival, migration, and invasion.

Modeling of prolactin response following dopamine D2 receptor antagonists in rats: can it be translated to clinical dosing?

Modeling of prolactin response following dopamine D2 receptor antagonists in rats: can it be translated to clinical dosing?

Authors: Taneja A, Vermeulen A, Huntjens DRH, Danhof M, De Lange ECM, Proost JH
Publication: Pharmacol Res Perspect
Keywords: Agonist-antagonist interaction model, dopamine D2 antagonist, precursor pool model, prolactin, receptor occupancy, translational modeling
Division: PBPK

Prolactin release is a side effect of antipsychotic therapy with dopamine antagonists, observed in rats as well as humans.

2017 White Paper on recent issues in bioanalysis: aren’t BMV guidance/guidelines ‘Scientific’? (Part 1 – LCMS: small molecules, peptides and small molecule biomarkers)

2017 White Paper on recent issues in bioanalysis: aren’t BMV guidance/guidelines ‘Scientific’? (Part 1 – LCMS: small molecules, peptides and small molecule biomarkers)

Authors: Welink J, Yang E, Hughes N, Rago B, Woolf E, Sydor J, Coppola L, Ackermann B, Li W, Alley SC, Arnold M, Berger I, Briscoe C, Buonarati M, Bustard M, Cancilla M, Cho SJ, Duggan J, Fraier D, Garofolo F, Green R, Haidar S, Hittle L, Ishii-Watabe A, Islam R, Jenkins R, Jones B, Kadavil J, Kassim S, Kavetska O, Blaye OL, Lee A, Liu H, Mehl J, Santos GML, Musuku A, Ramanathan R, Saito Y, Savoie N, Summerfield S, Surapaneni S, Szapacs M, Tampal N, Verhaeghe T, Vinter S, Whale E
Publication: Bioanalysis
Keywords: bioanalysis, biomarkers, immunogenicity, LCMC, mall Molecules, Scientific, Workshop on Recent Issues in Bioanalysis (WRIB)
Division: Cheminformatics

The 2017 11th Workshop on Recent Issues in Bioanalysis (11th WRIB) took place in Los Angeles/Universal City, California from 3 April 2017 to 7 April 2017 with participation of close to 750 professionals from pharmaceutical/biopharmaceutical companies, biotechnology companies, contract research organizations and regulatory agencies worldwide.

A cross-species translational pharmacokinetic-pharmacodynamic evaluation of core bodytemperature reduction by the TRPM8 blocker PF-05105679.

A cross-species translational pharmacokinetic-pharmacodynamic evaluation of core bodytemperature reduction by the TRPM8 blocker PF-05105679.

Authors: Gosset JR, Beaumont K, Matsuura T, Winchester W, Attkins N, Glatt S, Lightbown I, Ulrich K, Roberts S, Harris J, Mesic E, van Steeg T, Hijdra D, van der Graaf PH
Publication: Eur J Pharm Sci
Keywords: allometry, mechanistic absorption, PBPK modeling, qsp
Software: GastroPlus®
Division: PBPK

PF-05105679 is a moderately potent TRPM8 blocker which has been evaluated for the treatment of cold pain sensitivity.

Modeling of Active Transport and Metabolism for Hepatocyte Assays with Application of In Vitro to In Vivo Extrapolation (IVIVE)

Modeling of Active Transport and Metabolism for Hepatocyte Assays with Application of In Vitro to In Vivo Extrapolation (IVIVE)

Authors: Mullin JM, Lukacova V, Woltosz WS, Bolger MB
Conference: AAPS
Keywords: active transport, drug-drug interactions (DDIs), hepatocyte assays, In vitro in vivo extrapolation (IVIVE), metabolism
Software: MembranePlus™

Sandwich and suspended hepatocyte cultures are routinely used to assess either active transport and/or metabolism of drug molecules. 

Development of In Vitro-In Vivo Correlation for Long Acting Injectable Microsphere Formulations

Development of In Vitro-In Vivo Correlation for Long Acting Injectable Microsphere Formulations

Authors: Shahraz A, Mullin JM, Spires J, Lukacova V, Bolger MB, Woltosz WS
Conference: AAPS
Keywords: In vitro in vivo correlations (IVIVC), injectable microsphere formulations, pharmacokinetics of LAI microspheres, polymer degradation
Software: GastroPlus®
Division: PBPK

The concept of in vitro-in vivo correlations (IVIVCs) for long-acting injectable (LAI) microsphere formulations has gained more significance in the past decade.

Application of Physiologically Based Pharmacokinetic (PBPK) Models in Predicting Drug Pharmacokinetics for Different Ethnic Groups

Application of Physiologically Based Pharmacokinetic (PBPK) Models in Predicting Drug Pharmacokinetics for Different Ethnic Groups

Authors: Szeto KX, Lukacova V, Li M, Zhou H, DiBella J, Woltosz WS, Bolger MB
Conference: AAPS
Keywords: Caucasian, Chinese, drug pharmacokinetics, Physiologically based pharmacokinetic (PBPK) modeling
Software: GastroPlus®
Division: PBPK

The purpose of this study was to evaluate the ability of PBPK models to predict the pharmacokinects (PK) of different compounds in two ethnic groups, Caucasian and Chinese.

Ribociclib Bioavailability Is Not Affected by Gastric pH Changes or Food Intake: In Silico and Clinical Evaluations.

Ribociclib Bioavailability Is Not Affected by Gastric pH Changes or Food Intake: In Silico and Clinical Evaluations.

Authors: Samant TS, Dhuria S, Lu Y, Laisney M, Yang S, Grandeury A, Mueller-Zsigmondy M, Umehara K, Huth F, Miller M, Germa C, Elmeliegy M
Publication: Clin Pharmacol Ther
Keywords: absorption, ddI, drug labeling, drug–drug interaction, gastric pH, PBPK modeling, PPI, stomach
Software: GastroPlus®

Ribociclib (KISQALI®), a cyclin-dependent kinase 4/6 inhibitor approved for the first-line treatment of HR+/HER2– advanced breast cancer with an aromatase inhibitor, is administered with...

Intrinsic dissolution simulation of highly and poorly soluble drugs for BCS solubility classification

Intrinsic dissolution simulation of highly and poorly soluble drugs for BCS solubility classification

Authors: Duque MD, Issa MG, Silva DA, Kakuda BAS, Rodrigues LNC, Löbenberg R, Ferraz HG
Publication: Dissolut Technol
Keywords: api, BCS, dissolution, in vitro dissolution, intrinsic, intrinsic dissolution rate, metronidazole, pyrimethamine
Software: DDDPlus™

Intrinsic dissolution testing allows characterizing drug substances through its dissolution rate when exposed to a specified surface area in a specific dissolution media.