Ebola virus (EBOV) causes a deadly hemorrhagic fever in humans and non-human primates.
![Synthesis, Molecular Docking, and Antimycotic Evaluation of Some 3-Acyl Imidazo[1,2-a]pyrimidines](https://www.simulations-plus.com/wp-content/themes/simulations-plus/library/dist/img/default_square-large.jpg)
Synthesis, Molecular Docking, and Antimycotic Evaluation of Some 3-Acyl Imidazo[1,2-a]pyrimidines
A series of 3-benzoyl imidazo[1,2-a]pyrimidines, obtained from N-heteroarylformamidines in good yields, was tested in silico and in vitro for binding and inhibition of seven Candida species...
Applying GastroPlus Modeling Establish Level A IVIVCs Waive Biostudies
Bioavailability/bioequivalence (BA/BE) evaluation by employing in vitro dissolution/release data and clinically relevant specification is required by the regulators. For BCS 1/BCS 3 drugs formulated as immediate release (IR) oral dosage forms, a BCS-based biowaiver may be granted based on the in vitro dissolution profiles generated across the physiologically relevant pH range. For drugs/formulations with dissolution/release limited/controlled absorption, establishing Level A in vitro – in vivo correlations (IVIVCs) can be applied and further utilized to assess whether BA/BE is recommended.
Application of in silico Tools in Clinical Practice using Ketoconazole as a Model Drug
Hypochlorhydria is a condition where the production of hydrochloric acid in the stomach is decreased. As a result, the intragastric pH is elevated.
Prediction of ARA/PPI Drug-Drug Interactions at the Drug Discovery and Development Interface
Advances in understanding of human disease has prompted the Food and Drug Administration to classify certain molecules as “break-through therapies”, providing an accelerated review...
ETCM: an encyclopaedia of traditional Chinese medicine
Traditional Chinese medicine (TCM) is not only an effective solution for primary health care, but also a great resource for drug innovation and discovery.
Data Standards for Model-Informed Drug Development: an ISoP Initiative
Analysis datasets are fundamental components of pharmacometric analyses and their quality and readiness highly correlate with
Evaluation of Potential Carcinogenicity of Organic Chemicals in Synthetic Turf Crumb Rubber
Currently, there are >11,000 synthetic turf athletic fields in the United States and >13,000 in Europe. Concerns have been raised about exposure to carcinogenic chemicals resulting from...
Simulations Plus Announces Quarterly Cash Dividend of $0.06 per Share
Simulations Plus announced today that is board of directors has declared a cash dividend of $0.06 per share, to be distributed on Nov. 8, 2018.
Population pharmacokinetics and exposure – safety analyses of nivolumab in patients with relapsed or refractory classical hodgkin lymphoma
Nivolumab, a fully human immunoglobulin G4 monoclonal anti-programmed death-1 antibody, has demonstrated clinical benefits in multiple tumors, including classical Hodgkin lymphoma.
Use of In Silico Mechanistic Models to Support Interspecies Extrapolation of Oral Bioavailability and Formulation Optimization: Model Example Using GastroPlus™
PBPK models provide unique platform to combine information from in vitro, in silico and animal assays for accurate prediction of complex drug behavior in vivo
Machine Learning: What, Why, and How?
Since the beginning of computers era, an enormous amount of data generated seems to be ever-increasing and could be of great use with efficient learning techniques.
Tannic Acid Solution: A Better Fixative Solution Than Formalin for Elastin and Collagen—Toxic and Morphological Assessment.
Formaldehyde is commonly used worldwide, even though it is classified as carcinogenic to humans by the International Agency for Research on Cancer.
Design, synthesis, structural characterization and in vitro evaluation of new 1,4-disubstituted-1,2,3-triazole derivatives against glioblastoma cells
A new series of 1,4-disubstituted-1,2,3-triazole derivatives were synthesized through the copper-catalyzed azide-alkyne 1,3-dipolar cycloaddition (Click chemistry) and their inhibitory activities were...
The Irrelevance of in vitro Dissolution in Setting Product Specifications for Drugs like Dextromethorphan that are Subject to Lysosomal Trapping
The purpose of the current study was to develop a physiologically-based pharmacokinetic (PBPK) model for dextromethorphan (DEX) and its metabolites in extensive (EM) and poor metabolizers (PM).
Activation of CD8+ T Cells in the Context of Amodiaquine-Induced Liver Injury Advances Groundwork for Mathematical Representation of Idiosyncratic Drug-Induced Liver Injury (iDILI)
Extensive progress has been made in identifying mechanisms for dose-dependent drug-induced liver injury (DILI) and in developing screening assays to reduce its incidence.
Assessing Effects of BHV-0223 40 mg Zydis® Sublingual Formulation and Riluzole 50 mg Oral Tablet on Liver Function Test Parameters Utilizing DILIsym®
To quantitatively and mechanistically compare the liver toxicity potential of oral riluzole versus BHV-0223, combining clinical and mechanistic data, using DILIsym.
A Model-Based Approach to Bridging Plasma and Dried Blood Spot Concentration Data for Phase 3 Verubecestat Trials
Dried blood spot (DBS) pharmacokinetic (PK) sampling was investigated as a potential alternative to plasma sampling for Phase 3 verubecestat (MK-8931) trials due to several potential advantages (ie, reduced cost, reduced clinical site burden, and lower blood volume requirements)
Development of a Physiologically Based Pharmacokinetic Model for Losartan and Its Active Metabolite E3174 – Ethnic Differences in Pharmacokinetics between Caucasian and Asian Populations
Losartan is a selective, competitive angiotensin 11 receptor type 1 (AT1) antagonist for hypertension treatment.
Quantitative Systems Toxicology Modeling Using DILIsym Suggests That Mitochondrial Biogenesis Could Explain Adaptation to Drug-Induced Liver Injury (DILI)
Resolution of elevations of the liver injury biomarker serum ALT despite continued drug dosing, termed “adaptation”, is commonly observed in clinical trials, but the underlying mechanisms behind this phenomenon remain unclear.