In Silico studies of novel Sildenafil self-emulsifying drug delivery system absorption improvement for pulmonary arterial hypertension

In Silico studies of novel Sildenafil self-emulsifying drug delivery system absorption improvement for pulmonary arterial hypertension

Authors: Abrahim-Vieira BA, Souza AMTDE, Barros RC, Carmo FADO, Moreira RSS, Honorio TS, Rodrigues CR, Sousa VPDE, Cabral LM
Publication: An Acad Bras Cienc
Keywords: enabled formulation, gastroplus, mechanistic absorption, pbbm, PBPK modeling, physiologically based biopharmaceutics modeling
Software: GastroPlus®

Sildenafil is a potent selective inhibitor of phosphosdiesterase-5 previously used in erectile dysfunction and subsequently approved in 2005 for pulmonary...

Using a Physiologically Based Pharmacokinetic Absorption Model to Establish Dissolution Bioequivalence Safe Space for Oseltamivir in Adult and Pediatric Populations

Using a Physiologically Based Pharmacokinetic Absorption Model to Establish Dissolution Bioequivalence Safe Space for Oseltamivir in Adult and Pediatric Populations

Authors: Miao L, Mousa YM, Zhao L, Raines K, Seo P, Wu F
Publication: AAPS J
Keywords: dissolution safe space, drug product quality, gastroplus, mechanistic absorption, pbbm, PBPK modeling, physiologically based biopharmaceutics modeling, product specifications
Software: GastroPlus®

Bioequivalence (BE) studies support the approval and clinical use of both new drug and generic drug products.

Current status and future opportunities for incorporation of dissolution data in PBPK modeling for pharmaceutical development and regulatory applications: OrBiTo consortium commentary

Current status and future opportunities for incorporation of dissolution data in PBPK modeling for pharmaceutical development and regulatory applications: OrBiTo consortium commentary

Authors: Jamei M, Abrahamsson B, Brown C, Brown J, Bevernage J, Bolger MB, Heimbach T, Karlsson E, Kotzagiorgis E, Lindahl A, McAllister M, Mullin JM, Pepin X, Tistaert C, Turner DB, Kesisoglou F
Publication: Eur J Pharm Biopharm
Keywords: drug product quality, gastroplus, mechanistic absorption, pbbm, PBPK modeling, physiologically based biopharmaceutics modeling, product specifications
Software: GastroPlus®
Division: Simulations Plus

In vitro dissolution experiments are used to qualitatively assess the impact of formulation composition and process changes on the drug dosage form performance.

Identification and characterization of novel metabolites of nintedanib by ultra‐performance liquid chromatography/quadrupole time‐of‐flight tandem mass spectrometry with in silico toxicological assessment

Identification and characterization of novel metabolites of nintedanib by ultra‐performance liquid chromatography/quadrupole time‐of‐flight tandem mass spectrometry with in silico toxicological assessment

Authors: Tiwari SS, Dhiman V, Mukesh S, Sangamwar AT, Srinivas R, Kumar Talluri MVN
Publication: Rapid Comm Mass Spec
Keywords: admet predictor, idiopathic pulmonary fibrosis, in silico, in vitro, in vivo, nintedanib
Software: ADMET Predictor®

Nintedanib, an oral, triple angiokinase inhibitor, is used alongside docetaxel in the management of locally recurrent non‐small‐cell lung cancer...

Forced degradation studies of medroxyprogesterone acetate injectable suspensions (150 mg/ml) with implementation of HPLC, mass spectrometry, and QSAR techniques

Forced degradation studies of medroxyprogesterone acetate injectable suspensions (150 mg/ml) with implementation of HPLC, mass spectrometry, and QSAR techniques

Authors: Jenkins D, Harmon CL, Jia X, Kesselring A, Hatcher D, Grayson K, Ayres J
Publication: J Pharm Biomed Anal
Keywords: Forced degradation, HPLC-MS/MS, medroxyprogesterone acetate, quantitative structure–activity relationships, toxicity risk
Software: ADMET Predictor®

Medroxyprogesterone acetate (MPA) injectable products are a key commodity for reproductive health and are available in the global...

Chemical space and diversity of seaweed metabolite database (SWMD): A cheminformatics study

Chemical space and diversity of seaweed metabolite database (SWMD): A cheminformatics study

Authors: Sharie AHA, El-Elimat T, Al Zu’bi YO, Aleshawi AJ, Medina-Franco JL
Publication: J Mol Graph Model
Keywords: algae, chemical space, cheminformatics, scaffold diversity, seaweed metabolites, structural fingerprints
Software: ADMET Predictor®

Seaweeds have attracted attention in the past decade as a biological source of highly diverse secondary metabolites with great potential in the...

Effect of Fremanezumab Monthly and Quarterly Doses on Efficacy Responses

Effect of Fremanezumab Monthly and Quarterly Doses on Efficacy Responses

Authors: Fiedler-Kelly J, Passarell J, Ludwig E, Levi M, Cohen-Barak O
Publication: Headache
Keywords: chronic migraine, episodic migraine, exposure-response models, fremanezumab, pharmacokinetics, simulation
Division: Cognigen

Exposure-response (E-R) models were developed to provide a description of the time-course of treatment effect for monthly and quarterly dosing regimens of...

Effect of the structural factors of organic compounds on the acute toxicity toward Daphnia magna

Effect of the structural factors of organic compounds on the acute toxicity toward Daphnia magna

Authors: Tinkov OV, Grigorev VY, Razdolsky AN, Grigoryeva LD, Dearden JC
Publication: SAR and QSAR in Env Research
Keywords: Ecotoxicity, machine learning, mode of action, QSAR, simplex descriptors, structural interpretation
Software: ADMET Predictor®

The acute toxicity of organic compounds towards Daphina magna was subjected to QSAR analysis.