[11C]PBB3 is a clinically used positron emission tomography (PET) probe for in vivo imaging of tau pathology in the brain. Our previous study showed that [11C]PBB3 was rapidly decomposed to...
Effect of SI-591, a new class of cathepsin K inhibitor with peptidomimetic structure, on bone metabolism in vitro and in vivo
SI-591[N-[1-[[[(1S)-3-[[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]amino]-1-(1-methylethyl)-2,3-dioxopropyl]amino]carbonyl]cyclohexyl]-2-furancarboxamide] is an orally bioavailable compound that was synthesized as...
Preclinical pharmacokinetics of TPN729MA, a novel PDE5 inhibitor, and prediction of its human pharmacokinetics using a PBPK model
TPN729MA is a novel selective PDE5 inhibitor currently under clinical development in China for the treatment of erectile dysfunction. In this study we characterized its preclinical pharmacokinetics (PK) and predict its human PK...
Homology Modeling, Molecular Dynamic Simulation and In Silico Screening of Activator for the Intensification of Human Sirtuin Type 1 (SIRT1) By Novel 1, 3, 4-Thiadiazole Derivatives-A Potential Antiaging Approach
Sirtuin type-1(SIRT1) is a regulator of various biosynthetic pathways via activation of peroxisome proliferator-activated receptor-γ and interacting with adenosine-mono-phosphate kinase.
In vitro-in vivo correlation of parenteral risperidone polymeric microspheres
The objective of the present study was to determine whether an in vitro-in vivo correlation (IVIVC) can be established for polymeric microspheres that are equivalent in formulation composition but...
Simulations Plus to Present at Two Upcoming Investor Conferences
Management to Present at LD Micro Conference in Los Angeles on December 2, and to Attend One-on-One Meetings at the Benchmark MicroCap Discovery Conference in Chicago on December 10
Physicochemical Understanding of Solubility and Supersaturation for the Enhancement of the Oral Absorbability of Poorly Soluble Drugs
Many new chemical entities are developed as oral solid form drugs such as tablets and capsules due to their patient-friendliness.
Simulations Plus Reports FY2015 and Fourth Quarter FY2015 Financial Results
Full Fiscal Year Pharmaceutical Software and Services Up 59.8%; Earnings per share $0.23 cents up $0.05 cents (22.4%) over prior year
An Update of the Brazilian Regulatory Bioequivalence Recommendations for Approval of Generic Topical Dermatological Drug Products
This note aims to clarify the Brazilian regulatory bioequivalence recommendations for approval of generic topical dermatological drug products, since the legal framework of the "Brazilian Health Surveillance Agency" (ANVISA) is only available in Portuguese.
2015 White Paper on recent issues in bioanalysis: focus on new technologies and biomarkers (Part 1 – small molecules by LCMS)
The 2015 9th Workshop on Recent Issues in Bioanalysis (9th WRIB) took place in Miami, Florida with participation of over 600 professionals from pharmaceutical and biopharmaceutical companies, biotechnology companies, contract research organizations and regulatory agencies worldwide.
Simulations Plus Sets Date for 4th Quarter and Fiscal Year 2015 Earnings Release and Conference Call
Conference Call to be on Wednesday, November 18, 2015, at 4:15 P.M. EST
Assessment of in silico models for acute aquatic toxicity towards fish under REACH regulation
We evaluated the performance of eight QSAR in silico modelling packages (ACD/ToxSuite™, ADMET Predictor™, DEMETRA, ECOSAR, TerraQSAR™, Toxicity Estimation Software Tool, TOPKAT™ and VEGA) for...
Tools for early prediction of drug loading in lipid-based formulations
Identification of the usefulness of lipid-based formulations (LBFs) for delivery of poorly water-soluble drugs is at date mainly experimentally based.
Novel derivatives of nitro-substituted salicylic acids: Synthesis, antimicrobial activity and cytotoxicity
Inspired by the high antituberculous activity of novel nitro-substituted derivatives and based on promising predicted ADMET properties we have synthesized a series of 33 salicylanilides containing...
Benzazaborinines as novel bioisosteric replacements of naphthalene: propranolol as an example
Two benzazaborinine analogues of propranolol were synthesized and extensively profiled in vitro and in vivo.
Physical Stability of Drugs after Storage Above and Below the Glass Transition Temperature: Relationship to Glass-Forming Ability
Amorphous materials are inherently unstable and tend to crystallize upon storage. In this study, we investigated the extent to which the physical stability and inherent crystallization tendency of drugs are related...
QSAR Modeling Independent of Input Tautomers
The quality and predictivity of QSAR models used in drug design and development often depend on the tautomeric and valence structures used to represent the molecules of interest. This is because the...
Pharmacologic Activities of 3′- Hydroxypterostilbene: Cytotoxic, Anti-Oxidant, Anti-Adipogenic, Anti-Inflammatory, Histone Deacetylase and Sirtuin 1 Inhibitory Activity
Delineate the selected pharmacodynamics of a naturally occurring stilbene 3’-Hydroxypterostilbene.