AIMC Topic: Inhibitory Concentration 50
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Drug response prediction by ensemble learning and drug-induced gene expression signatures.
Genomics
Jul 6, 2018
Chemotherapeutic response of cancer cells to a given compound is one of the most fundamental information one requires to design anti-cancer drugs. Recently, considerable amount of drug-induced gene expression data has become publicly available, in ad...
Gene-Specific Variant Classifier (DPYD-Varifier) to Identify Deleterious Alleles of Dihydropyrimidine Dehydrogenase.
Clinical pharmacology and therapeutics
Feb 2, 2018
Deleterious variants in dihydropyrimidine dehydrogenase (DPD, DPYD gene) can be highly predictive of clinical toxicity to the widely prescribed chemotherapeutic 5-fluorouracil (5-FU). However, there are very limited data pertaining to the functional ...
Structure-Activity Relationship
Models, Molecular
Fluorouracil
Inhibitory Concentration 50
Computer Simulation
Humans
Dihydrouracil Dehydrogenase (NADP)
HCT116 Cells
Genotype
Antimetabolites, Antineoplastic
Risk Assessment
Machine Learning
Dose-Response Relationship, Drug
Pharmacogenomic Testing
HEK293 Cells
Mutation, Missense
Pharmacogenomic Variants
Cell Survival
Gene Frequency
Pharmacogenetics
Predictive Value of Tests
Protein Conformation
Chemical findings and in vitro biological studies to uphold the use of Ficus exasperata Vahl leaf and stem bark.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
Dec 27, 2017
Ficus exasperata Vahl, commonly known as sandpaper, is a terrestrial Afro-tropical tree used in popular medicine. Despite the existence of some works on the biological activities of this species, its chemical composition is still poorly known. The ai...
Free Radical Scavengers
Superoxides
Ficus
Spectrophotometry, Ultraviolet
Functional Food
Chromatography, High Pressure Liquid
Cell Line, Tumor
Spectrometry, Mass, Electrospray Ionization
Plant Extracts
Plant Stems
Humans
Nitric Oxide
Inhibitory Concentration 50
Reproducibility of Results
Hypoglycemic Agents
Dietary Supplements
Dose-Response Relationship, Drug
Plant Leaves
Drug Screening Assays, Antitumor
Plant Bark
Determination of soyasaponins in Fagioli di Sarconi beans (Phaseolus vulgaris L.) by LC-ESI-FTICR-MS and evaluation of their hypoglycemic activity.
Analytical and bioanalytical chemistry
Dec 21, 2017
Soyasaponins are oleanene-type triterpenoid saponins, naturally occurring in many edible plants that have attracted a great deal of attention for their role in preventing chronic diseases. The aim of this study was to establish the distribution and t...
Procyanidin A2 in the Australian plant Alectryon oleifolius has anthelmintic activity against equine cyathostomins in vitro.
Veterinary parasitology
Nov 21, 2017
There is a need to investigate new methods of controlling cyathostomins in horses due to increasing anthelmintic resistance amongst these parasites. In a previous study we identified the Australian plant Alectryon oleifolius as having anthelmintic ac...
Changes in polyphenol composition and bioactivity of the native Chilean white strawberry (Fragaria chiloensis spp. chiloensis f. chiloensis) after in vitro gastrointestinal digestion.
Food research international (Ottawa, Ont.)
Nov 8, 2017
The Chilean white strawberry (Fragaria chiloensis spp. chiloensis f. chiloensis) is a semi-domesticated strawberry with high polyphenol content and antioxidant activity occurring in southern Chile. The aim of this work was to compare the composition ...
Supervised machine learning techniques to predict binding affinity. A study for cyclin-dependent kinase 2.
Biochemical and biophysical research communications
Oct 7, 2017
Here we report the development of a machine-learning model to predict binding affinity based on the crystallographic structures of protein-ligand complexes. We used an ensemble of crystallographic structures (resolution better than 1.5 Å resolution) ...
Is Multitask Deep Learning Practical for Pharma?
Journal of chemical information and modeling
Aug 1, 2017
Multitask deep learning has emerged as a powerful tool for computational drug discovery. However, despite a number of preliminary studies, multitask deep networks have yet to be widely deployed in the pharmaceutical and biotech industries. This lack ...
Differential cytotoxicity and internalization of graphene family nanomaterials in myocardial cells.
Materials science & engineering. C, Materials for biological applications
Dec 23, 2016
Given the well-known physical properties of graphene oxide (GO), numerous applications for this novel nanomaterial have been recently envisioned to improve the performance of biomedical devices. However, the toxicological assessment of GO, which stro...
Learning the Relationship between the Primary Structure of HIV Envelope Glycoproteins and Neutralization Activity of Particular Antibodies by Using Artificial Neural Networks.
International journal of molecular sciences
Oct 11, 2016
The dependency between the primary structure of HIV envelope glycoproteins (ENV) and the neutralization data for given antibodies is very complicated and depends on a large number of factors, such as the binding affinity of a given antibody for a giv...
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