Characterization of Pharmacokinetics in the Göttingen Minipig with Reference Human Drugs: An In Vitro and In Vivo Approach

Characterization of Pharmacokinetics in the Göttingen Minipig with Reference Human Drugs: An In Vitro and In Vivo Approach

Authors: Lignet F, Sherbetijan E, Kratochwil N, Jones RN, Suenderhauf C, Otteneder MB, Singer T, Parrott N
Publication: Pharm Res
Keywords: in silico, metabolism, minipig, pharmacokinetics
Software: ADMET Predictor®

This study aims to expand our understanding of the mechanisms of drug absorption, distribution, metabolism and excretion in the Göttingen minipig to aid a knowledge-driven selection of the optimal species for preclinical pharmaceutical research.

High-throughput virtual screening and quantum mechanics approach to develop imipramine analogues as leads against trypanothione reductase of leishmania

High-throughput virtual screening and quantum mechanics approach to develop imipramine analogues as leads against trypanothione reductase of leishmania

Authors: Pandey RK, Verma PRP, Sharma D, Bhatt TK, Sundar S, Prajapati VK
Publication: Biomed Pharmacother
Keywords: ADMET, imipramine, molecular dynamics, trypanothione reductase, visceral leishmaniasis

Visceral leishmaniasis (VL) has been considered as one of the most fatal form of leishmaniasis which affects 70 countries worldwide.

Informing the Human Plasma Protein Binding of Environmental Chemicals by Machine Learning in the Pharmaceutical Space: Applicability Domain and Limits of Predictability

Informing the Human Plasma Protein Binding of Environmental Chemicals by Machine Learning in the Pharmaceutical Space: Applicability Domain and Limits of Predictability

Authors: Ingle BL, Veber BC, Nichols JW, Tornero-Velez R
Publication: J Chem Inf Model
Keywords: chemical adsorption, Distribution, Elimination, metabolism, pharmaceutical, protein binding, QSAR, quantitative structure activity relationship, Toxicity
Software: ADMET Predictor®

The free fraction of a xenobiotic in plasma (Fub) is an important determinant of chemical adsorption, distribution, metabolism, elimination, and toxicity, yet experimental plasma protein binding data are scarce for environmentally relevant chemicals.

In vitro–in vivo–in silico simulation studies of anti-tubercular drugs doped with a self nanoemulsifying drug delivery system

In vitro–in vivo–in silico simulation studies of anti-tubercular drugs doped with a self nanoemulsifying drug delivery system

Authors: Hussain S, Singh SK, Singh N, Verma PRP
Publication: RSC Adv
Keywords: anti-tubercular drugs, drug delivery systems, in silico, in vivo, oral bioavailability, pharmacokinetics, PK parameters
Software: GastroPlus®

This study aimed to formulate a self-nanoemulsifying drug delivery system (SNEDDS) for enhanced pharmacokinetic (PK) behavior of rifampicin and isoniazid...

Justification of drug product dissolution rate and drug substance particle size specifications based on absorption PBPK modelling for lesinurad immediate release tablets

Justification of drug product dissolution rate and drug substance particle size specifications based on absorption PBPK modelling for lesinurad immediate release tablets

Authors: Pepin XJ, Flanagan TR, Holt DJ, Eidelman A, Treacy D, Rowlings CE
Publication: Mol Pharm
Keywords: biowaiver, control strategy, dissolution, modeling, PBPK, specifications

In silico absorption modeling has been performed, to assess the impact of in vitro dissolution on in vivo performance for ZURAMPIC (lesinurad) tablets.

Advanced research technology for discovery of new effective compounds from Chinese herbal medicine and their molecular targets.

Advanced research technology for discovery of new effective compounds from Chinese herbal medicine and their molecular targets.

Authors: Wong VK, Law BY, Yao X, Chen X, Xu SW, Liu L, Leung EL
Publication: Pharm Res
Keywords: biotechnology, Chinese herbal medicine, computational technology, mechanism, new phytochemicals, omics
Software: ADMET Predictor®

Traditional biotechnology has been utilized by human civilization for long in wide aspects of our daily life, such as wine and vinegar production, which can generate new phytochemicals from natural products using micro-organism.

Janus kinase (JAK) inhibitors in the treatment of inflammatory and neoplastic diseases

Janus kinase (JAK) inhibitors in the treatment of inflammatory and neoplastic diseases

Authors: Roskoski R
Publication: Pharm Res
Keywords: ATP-binding site, catalytic spine, K/E/D/D, regulatory spine, ruxolitinib, tofacitinib
Software: MedChem Designer™

The Janus kinase (JAK) family of non-receptor protein-tyrosine kinases consists of JAK1, JAK2, JAK3, and TYK2 (tyrosine kinase-2). Each of these proteins contains a JAK homology pseudokinase (JH2) domain...

Evaluation of the GastroPlus™ Advanced Compartmental and Transit (ACAT) Model in Early Discovery

Evaluation of the GastroPlus™ Advanced Compartmental and Transit (ACAT) Model in Early Discovery

Authors: Gobeau N, Stringer R, De Buck SS, Tuntland T, Faller B
Publication: Pharm Res
Keywords: advanced compartmental and transit (ACAT), drug discovery, oral absorption, physiologically based pharmacokinetics (PBPK)
Software: GastroPlus®

The aim of this study was to evaluate the oral exposure predictions obtained early in drug discovery with a generic GastroPlus Advanced Compartmental And Transit (ACAT) model based on the in vivo intravenous...

Physiologically Based Absorption Modeling to Impact Biopharmaceutics and Formulation Strategies in Drug Development—Industry Case Studies

Physiologically Based Absorption Modeling to Impact Biopharmaceutics and Formulation Strategies in Drug Development—Industry Case Studies

Authors: Kesisoglou F, Chung J, van Asperen J, Heimbach T
Publication: J Pharm Sci
Keywords: absorption, food effectsoral absorptionparticle size, pharmacokinetics, physiologically based pharmacokinetic modeling

In recent years, there has been a significant increase in use of physiologically based pharmacokinetic models in drug development and regulatory applications.