Results 41 to 50 of about 84,571 (285)
Lipophilicity in Molecular Modeling
Pharmaceutical Research, 1996 The molecular lipophilicity potential (MLP) offers a three-dimensional representation of lipophilicity, a molecular property encoding intermolecular recognition and intramolecular interactions.The interest and applications of the MLP in molecular modeling are varied, as illustrated here.The MLP is a major tool to assess the dependence of lipophilicity ...
Testa, Bernard +4 more
openaire +3 more sources
Uncertainty Quantification Using Neural Networks for Molecular Property Prediction
, 2020 Uncertainty quantification (UQ) is an important component of molecular property prediction, particularly for drug discovery applications where model predictions direct experimental design and where unanticipated imprecision wastes valuable time and ...
Barzilay, Regina +4 more
core +1 more source
Protective activity of aromatic amines and imines against oxidative nerve cell death [PDF]
, 2001 Oxidative stress is a widespread phenomenon in the pathology of neurodegenerative diseases such as Alzheimer's disease, Parkinson's disease, and amyotrophic lateral sclerosis.
Behl, Christian +3 more
core +1 more source
Advanced Engineering Materials, EarlyView.Phase‐changing liquids enable untethered pneumatic actuation in soft robotics but suffer from volatility and storage challenges. This work reports a simple method to encapsulate Novec 7000 within micron‐thin alginate shells via in situ injection and ionic crosslinking.
Rayan A. M. Basodan +3 more
wiley +1 more source
Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists [PDF]
, 2014 A knowledge-based library of aryl 2,3-dichlorophenylsulfonamides was synthesised and screened as human CCR4 antagonists, in order to identify a suitable hit for the start of a lead-optimisation programme.
Copley, R.C.B. +4 more
core +1 more source
Advanced Functional Materials, EarlyView.A spleen‐targeting hybrid nanoplatform (RBCMV‐LNP‐RP) harnessing erythrophagocytosis mimics senescent red blood cell clearance to achieve spleen‐specific delivery of rapamycin. This biomimetic system enables selective accumulation in splenic macrophages, orchestrating systemic immune reprogramming and promoting mucosal healing in an inflammatory bowel ...
Jun Kwon +10 more
wiley +1 more source
Prediction of the permeability of neutral drugs inferred from their solvation properties [PDF]
, 2015 Determination of drug absorption is an important component of the drug discovery and development process in that it plays a key role in the decision to promote drug candidates to clinical trials.
Milanetti, Edoardo +2 more
core +1 more source
Advanced Functional Materials, EarlyView.Liquid crystalline inverted lipid phases and reverse micelles are self‐assembled lipid nanostructures that enhance the solubility, stability, and delivery of diverse therapeutics. This review integrates their physicochemical principles, formulation strategies, drug loading mechanisms, and biomedical applications, highlighting their growing ...
Numan Eczacioglu +3 more
wiley +1 more source
MoleculesThere are scientific studies indicating that the attachment of an indole moiety to the triterpene scaffold can lead to increased anticancer potential.
Zuzanna Rzepka +6 more
doaj +1 more source
Lipophilicity as a Central Component of Drug-Like Properties of Chalchones and Flavonoid Derivatives
Molecules, 2019 Lipophilcity is an important physico-chemical parameter that influences membrane transport and binding ability to action. Migration distance following complete elution of compounds was used to calculate different lipophilicity-related parameters. The aim
Teodora Constantinescu +2 more
doaj +1 more source