The work covers synthesis and lipophilicity estimation of several BODIPY dyes. For these compounds, the distribution between 1-octanol water layers is experimentally described corresponding partition coefficients LogP are calculated. experimental values compared with popular fragment-based methods XLopP3, ALogPS, WLogP, SILICOS-IT MLogP. Additionally, hydrophobic polar surface areas found quant...

BACKGROUND Interaction of antiretrovirals with drug transporters such as P-glycoprotein (P-gp), multidrug resistance-associated protein (MRP), breast cancer resistance protein (BCRP) and solute carrier organic anion transporter (SLCO) may influence the emergence of viral mutants by altering intracellular drug concentrations. Here we characterize the effect of transporter expression in a variety...

A molecular orbital computational study of the statins and a comprehensive review of the literature have found that the lactone forms of statins play a major role in the transport of statins across the cell membrane, and in the metabolism and clearance from the body. The neutral lactone and acid statin species are preferentially transported across the cell membrane and consequentially preferent...

Despite widespread recognition of significant data deficiencies, reptiles remain a relatively understudied taxon in ecotoxicology. To conduct ecological risk assessments on reptiles frequently requires using surrogate taxa such as birds, but recent research suggests that reptiles have significantly different exposure profiles and toxicant sensitivity. We exposed western fence lizards, Sceloporu...

The endogenous mu-opioid receptor agonist, endomorphin (EM)-1, cannot be delivered into the central nervous system (CNS) in sufficient quantity to elicit analgesia when given systemically because it is severely restricted by the blood-brain barrier (BBB). To improve the physicochemical characteristics of EM-1 and subsequently achieve greater BBB permeation, we synthesized a series of EM-1 analo...

Several five and six-membered aromatic systems with three heteroatoms such as S, O, N have been intensively researched due to their intriguing pharmacological properties. Heterocyclic compounds are chemicals that allow life exist. Aside from that, all in the ring interact better amino acids, these interactions aid reducing transactivation, enhancing lipophilicity, solubility, absorption, of whi...

1. General Experimental Details 2. Oxidative Addition Complexes and Synthetic Procedures 3. Peptide Synthesis and LC-MS Characterisation 4. Macrocyclisation Reactions and LC-MS Characterisation 5. C-CA Protein Expression 6. BioLayer Interferometry Binding 7. Lipophilicity, Phospholipid Affinity, Volume of Distribution, and Human Serum Albumin Binding Data 8. ICP-MS Analysis 9. References 10. NM...

A palladium mediated synthesis of a common synthon for the syntheses of antioxidant analogues of naturally occurring salvianolic acids is presented. The synthetic route may be used to obtain analogues with a balanced lipophilicity/hydrophilicity which may result in potentially interesting LDL antioxidants for the prevention of cardiovascular diseases.

The airway retention of inhaled glucocorticosteroids (GCs) depends largely on their lipophilicity. Inhaled budesonide (BUD) becomes highly lipophilic reversibly by the formation of esters acting as a reservoir of active BUD. Ciclesonide (CIC) was also reported to form esters after hydrolysis to active metabolite (CIC-AM). We have investigated lipophilicity and airway retention of BUD, CIC/CIC-A...