Identification of 37 Heterogeneous Drug Candidates for Treatment of COVID-19 via a Rational Transcriptomics-Based Drug Repurposing Approach

Identification of 37 Heterogeneous Drug Candidates for Treatment of COVID-19 via a Rational Transcriptomics-Based Drug Repurposing Approach

Authors: Gelemanovic A, Vidovic T, Stepanic V, Trajkovic K
Publication: Pharmaceuticals
Keywords: connectivity map, COVID-19, Drug repurposing, host transcriptome, SARS-CoV-2
Software: ADMET Predictor®

A year after the initial outbreak, the COVID-19 pandemic caused by SARS-CoV-2 virus remains a serious threat to global health, while current treatment options are insufficient to bring major improvements.

An In Vitro–In Vivo Simulation Approach for the Prediction of Bioequivalence

An In Vitro–In Vivo Simulation Approach for the Prediction of Bioequivalence

Authors: Vlachou M, Karalis V
Publication: Materials
Keywords: bioequivalence, drug release, in vitro dissolution, modeling and simulation
Software: PKanalix®
Division: Clinical Pharmacology and Pharmacometrics (CPP)

The aim of this study was to develop a new in vitro–in vivo simulation (IVIVS) approach in order to predict the outcome of a bioequivalence study.

Exploratory Study on Lercanidipine Hydrochloride Polymorphism: pH-Dependent Solubility Behavior and Simulation of its Impact on Pharmacokinetics

Exploratory Study on Lercanidipine Hydrochloride Polymorphism: pH-Dependent Solubility Behavior and Simulation of its Impact on Pharmacokinetics

Authors: Repin IA, Loebenberg R, DiBella J, Conceicao ACL, Minas da Piedade ME, Ferraz HG, Issa MG, Bou-Chacra NA, Ermida CFM, de Araujo GLB
Publication: AAPS PharmSciTech
Keywords: enabled formulations, gastroplus, mechanistic absorption, pbbm, PBPK modeling, physiologically based biopharmaceutics modeling
Software: GastroPlus®
Division: PBPK

This work describes an exploratory experimental and in silico study of the influence of polymorphism, particle size, and physiology on the...

2020 White Paper on Recent Issues in Bioanalysis: BMV of Hybrid Assays, Acoustic MS, HRMS, Data Integrity, Endogenous Compounds, Microsampling and Microbiome ( Part 1 – Recommendations on Industry/Regulators Consensus on BMV of Biotherapeutics by LCMS, Advanced Application in Hybrid Assays, Regulatory Challenges in Mass Spec, Innovation in Small Molecules, Peptides and Oligos)

2020 White Paper on Recent Issues in Bioanalysis: BMV of Hybrid Assays, Acoustic MS, HRMS, Data Integrity, Endogenous Compounds, Microsampling and Microbiome ( Part 1 – Recommendations on Industry/Regulators Consensus on BMV of Biotherapeutics by LCMS, Advanced Application in Hybrid Assays, Regulatory Challenges in Mass Spec, Innovation in Small Molecules, Peptides and Oligos)

Authors: Neubert H, Alley SC, Lee A, Jian W, Buonarati M, Edmison A, Garofolo F, Gorovits B, Haidar S, Mylott B, Nouri P, Qian M, Vinter S, Voelker T, Welink J, Wu J, Yang E, Yu H, Evans C, Summerfield S, Wang J, Bateman K, Boer J, Dean B, Dillen L, Faustino P, Ferrari L, Hughes N, Luo L, Olah T, Post N, Spellman DS, Sydor J, Zhang H, Zhang J, Fandozzi C, Fraier D, Beaver CJ, Dandamudi S, Dasgupta A, Elliott R, Ji A, Li W, McGuinness M, Santos GML, Mirza T, Savoie N, Shakleya D, Sporring S, Stojdl S, Sundman P, Tampal N, Woolf E
Publication: Bioanalysis
Keywords: bioanalysis, biomarkers, cell therapy, gene therapy, immunogenicity, vaccine
Division: Regulatory Strategies

The 14th edition of the Workshop on Recent Issues in Bioanalysis (14th WRIB) was held virtually on June 15-29, 2020 with an attendance of over 1000...

Model-Based Selection and Recommendation for Subcutaneous Abatacept Dose in Patients With Polyarticular Juvenile Idiopathic Arthritis

Model-Based Selection and Recommendation for Subcutaneous Abatacept Dose in Patients With Polyarticular Juvenile Idiopathic Arthritis

Authors: Gandhi Y, Passarell JA, Roy A, Murthy B
Publication: J Clin Pharmacol
Keywords: abatacept, E-R, exposure-response, JIA-ACR, juvenile idiopathic, Pediatric, population pharmacokinetics, PPK
Division: Clinical Pharmacology and Pharmacometrics (CPP)

The selective T-cell costimulation modulator abatacept is approved for treatment of adult rheumatoid arthritis (RA) and polyarticular juvenile idiopathic arthritis (pJIA; 6-17 years [intravenous] and

Application of physiologically based pharmacokinetic modeling to predict the pharmacokinetics of telavancin in obesity with renal impairment

Application of physiologically based pharmacokinetic modeling to predict the pharmacokinetics of telavancin in obesity with renal impairment

Authors: Wu W, Ke M, Ye L, Lin C
Publication: Eur J Clin Pharmacol
Keywords: clinical pharmacology, disease modeling, gastroplus, pbbm, PBPK modeling, physiologically based pharmacokinetics, special populations
Software: GastroPlus®

U.S. Food and Drug Administration (FDA) recommended telavancin dosing is based on total body weight (TBW) but lacks adjusted regimens for obese...

Cheminformatics-Based Identification of Potential Novel Anti-SARS-CoV-2 Natural Compounds of African Origin

Cheminformatics-Based Identification of Potential Novel Anti-SARS-CoV-2 Natural Compounds of African Origin

Authors: Kwofie SK, Broni E, Asiedu SO, Kwarko GB, Dankwa B, Enninful KS, Tiburu EK, Wilson MD
Publication: Molecules
Keywords: African natural products, coronavirus, molecular docking, molecular dynamics, SARS-CoV-2, SARS-CoV-2 inhibitors, virtual screening
Software: ADMET Predictor®

The coronavirus disease 2019 (COVID-19) pandemic caused by the severe acute respiratory syndrome virus 2 (SARS-CoV-2) has impacted negatively on public health and socioeconomic status, globally.

Physiologically-based pharmacokinetics modeling to investigate formulation factors influencing the generic substitution of dabigatran etexilate

Physiologically-based pharmacokinetics modeling to investigate formulation factors influencing the generic substitution of dabigatran etexilate

Authors: Farhan N, Cristofoletti R, Basu S, Kim S, Lingineni K, Jiang S, brown JD, Fang L, Lesko LJ, Schmidt S
Publication: CPT Pharmacometrics Syst Pharmacol
Keywords: anti-coagulants, DABE, DOAC, PBPK model, pharmacokinetics (PK)
Software: ADMET Predictor®

The exposure-response relationship of direct acting oral anti-coagulants (DOACs) for bleeding risk is steep relative to ischemic stroke reduction.

Synthesis, anticancer activity and molecular docking studies of N-deacetylthiocolchicine and 4-iodo-N-deacetylthiocolchicine derivatives

Synthesis, anticancer activity and molecular docking studies of N-deacetylthiocolchicine and 4-iodo-N-deacetylthiocolchicine derivatives

Authors: Klejborowska G, Urbaniak A, Maj E, Wietrzyk J, Moshari M, Preto J, Tuszynski JA, Chambers TC, Huczynski A
Publication: Bioorg Med Chem
Keywords: Antimitotic agent, antiproliferative activity, Colchicine binding site inhibitor, Thiocolchicine
Software: ADMET Predictor®

Colchicine is a plant alkaloid with a broad spectrum of biological and pharmacological properties.

Exploring the Active Components of Simotang Oral Liquid and Their Potential Mechanism of Action on Gastrointestinal Disorders by Integrating Ultrahigh-Pressure Liquid Chromatography Coupled with Linear Ion Trap-Orbitrap Analysis and Network Pharmacology

Exploring the Active Components of Simotang Oral Liquid and Their Potential Mechanism of Action on Gastrointestinal Disorders by Integrating Ultrahigh-Pressure Liquid Chromatography Coupled with Linear Ion Trap-Orbitrap Analysis and Network Pharmacology

Authors: Luo Z, Yu G, Han X, Liu Y, Wang G, Yang H, Sun W
Publication: ACS Omega
Keywords: gastrointestinal, Liquid chromatography, pharmacology, Simotang oral liquid (SMT)
Software: ADMET Predictor®

Simotang oral liquid (SMT), a well-known traditional Chinese medicine formula composed of four medicinal and edible plants, has been extensively used for treating gastrointestinal disorders (GIDs) since ancient times.