Repurposing of Strychnine as the Potential Inhibitors of Aldo–keto Reductase Family 1 Members B1 and B10: Computational Modeling and Pharmacokinetic Analysis

Repurposing of Strychnine as the Potential Inhibitors of Aldo–keto Reductase Family 1 Members B1 and B10: Computational Modeling and Pharmacokinetic Analysis

Authors: Sarfraz M, Aziz M, Afzal S, Channar PA, Alsfouk BA, Kandhro GA, Hassan S, Sultan A, Hamad A, Arafat M, Qaiser MN, Ahmed A, Siddiqui F, Ejaz SA
Publication: Protein J
Keywords: admet predictor, gastroplus, high throughput pharmacokinetics, HTPK, PBPK modeling, physiologically based pharmacokinetics
Software: ADMET Predictor®, GastroPlus®

AKR1B1 and AKR1B10 are important members of aldo–keto reductase family which plays a significant role in cancer progression by modulating cellular metabolism.

Adult and pediatric physiologically-based biopharmaceutics modeling to explain lamotrigine immediate release absorption process

Adult and pediatric physiologically-based biopharmaceutics modeling to explain lamotrigine immediate release absorption process

Authors: Caleffi-Marchesini ER, Herling AA, Macente J, Bonan RH, de Freitas Lima P, Moreno R, Alexandre V, Charbe NB, Borghi-Pangoni FB, Cristofoletti R, Diniz A
Publication: CPT Pharmacometrics Syst Pharmacol
Keywords: ACAT, biopharmaceutics, dissolution specifications, formulation design, gastroplus, pbbm, PBPK modeling, pediatrics, physiologically based pharmacokinetics
Software: GastroPlus®

Physiologically-based biopharmaceutics modeling (PBBM) has potential to accelerate the development of new drug and formulations.

The QST modeling approach leveraging known physiology and available clinical data paves the path towards predictions of DILI in pediatrics

The QST modeling approach leveraging known physiology and available clinical data paves the path towards predictions of DILI in pediatrics

Authors: Do Dela A, Yang K, Beaudoin J, Woodhead JL
Conference: AAPS
Keywords: AAPS2023, DILI, DILIsym, drug induced liver injury (DILI), pediatrics, QST modeling, Quantitative Systems Toxicology (QST)
Software: DILIsym®
Division: DILIsym Services

Drug-induced liver injury (DILI) is an underrecognized cause of pediatric liver disease which accounts for almost...

Quercetin-encapsulated magnetoliposomes: Fabrication, optimization, characterization, and antioxidant studies

Quercetin-encapsulated magnetoliposomes: Fabrication, optimization, characterization, and antioxidant studies

Authors: Kar S, Das SS, Singh SK
Publication: Eur J Lipid Sci and Tech
Keywords: ACAT, dissolution modeling, formulation assessment, gastroplus, mechanistic absorption, parameter sensitivity analysis, PBPK modeling, preformulation, psa
Software: GastroPlus®

Quercetin (QU) faces challenges in its therapeutic efficacy due to its hydrophobic nature and limited oral bioavailability.

Approaches to Account for Colon Absorption in Physiologically Based Biopharmaceutics Modeling of Extended-Release Drug Products

Approaches to Account for Colon Absorption in Physiologically Based Biopharmaceutics Modeling of Extended-Release Drug Products

Authors: Jadhav H, Augustijns P, Tannergren C
Publication: Mol Pharm
Keywords: ACAT, biopharmaceutics, colonic absorption, extended release, gastroplus, mechanistic absorption, modified release, pbbm, PBPK modeling
Software: GastroPlus®

The rate and extent of colon absorption are important determinants of the in vivo performance of extended-release (ER) drug products.

ADME characterization and PBK model development of 3 highly protein-bound UV filters through topical application

ADME characterization and PBK model development of 3 highly protein-bound UV filters through topical application

Authors: Li H, Bunglawala F, Hewitt NJ, Pendlington R, Cubberley R, Nicol B, Spriggs S, Baltazar M, Cable S, Dent M
Publication: Toxicol Sci
Keywords: ADME, difficult-to-test chemicals Therapeutic area: Dermatology, nams, pbk modeling, UV filters
Software: ADMET Predictor®
Therapeutic Areas: Dermatology

Estimating human exposure in the safety assessment of chemicals is crucial. Physiologically based kinetic (PBK) models which combine information on exposure, physiology...

Bridging population pharmacokinetic and semimechanistic absorption modeling of APX3330

Bridging population pharmacokinetic and semimechanistic absorption modeling of APX3330

Authors: Silva LL, Stratford RE, Messman R, Kelley MR, Quinney SK
Publication: CPT Pharmacometrics Syst Pharmacol
Keywords: ACAT, food effect, gastroplus, mechanistic absorption, pbbm, PBPK modeling, special populations
Software: ADMET Predictor®, GastroPlus®

APX3330 ((2E)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methylene]-undecanoic acid), a selective inhibitor of APE1/Ref-1, has been investigated in treatment of hepatitis, cancer, diabetic retinopathy, and macular edema.

In vitro and in vivo pharmacokinetic characterization, chiral conversion and PBPK scaling towards human PK simulation of S-MRI-1867, a drug candidate for Hermansky-Pudlak syndrome pulmonary fibrosis

In vitro and in vivo pharmacokinetic characterization, chiral conversion and PBPK scaling towards human PK simulation of S-MRI-1867, a drug candidate for Hermansky-Pudlak syndrome pulmonary fibrosis

Authors: Padilha EC, Yang M, Shah P, Wang AQ, Duan J, Park JK, Zawatsky CN, Malicdan MCV, Kunos G, Iyer MR, Gaucher G, Ravenelle F, Cinar R, Xu X
Publication: Biomed Pharmacother
Keywords: dose selection, fih, gastroplus, PBPK modeling, physiologically based pharmacokinetics, translational science
Software: GastroPlus®

Hermansky-Pudlak syndrome (HPS) is a rare autosomal recessive disorder that affects lysosome-related organelles, often leading to fatal pulmonary fibrosis (PF)