Now showing items 1-10 of 10
Optimization of protein loaded PLGA nanoparticles manufacturing parameters following a quality-by-design approach
Development of a multivariate-based regression model for estimating the critical attributes for establishing a design-space for poly(lactic-co-glycolic acid) (PLGA) nanoparticles formulated by a double emulsion-solvent ...
Intramolecular cyclization of β-nitroso-o-quinone methides : A theoretical endoscopy of a potentially useful innate 'reclusive' reaction
Oxidatively generated β-nitroso-o-quinone methides undergo an o- and/or peri-intramolecular cyclization to arene-fused 1,2-oxazoles, 1,2-oxazines or indoles. The reaction, found to be an innate process, has been scrutinized ...
Computational classification models for predicting the interaction of drugs with P-glycoprotein and breast cancer resistance protein
P-glycoprotein (P-gp/ABCB1) and breast cancer resistance protein (BCRP/ABCG2) are two members of the adenosine triphosphate (ATP) binding cassette (ABC) family of transporters which function as membrane efflux transporters ...
Structural insights into binding of small molecule inhibitors to Enhancer of Zeste Homolog 2
Enhancer of Zeste Homolog 2 (EZH2) is a SET domain protein lysine methyltransferase (PKMT) which has recently emerged as a chemically tractable and therapeutically promising epigenetic target, evidenced by the discovery ...
Potential of Lichen Secondary Metabolites against Plasmodium Liver Stage Parasites with FAS-II as the Potential Target
Chemicals targeting the liver stage (LS) of the malaria parasite are useful for causal prophylaxis of malaria. In this study, four lichen metabolites, evernic acid (1), vulpic acid (2), psoromic acid (3), and (+)-usnic ...
Computational design principles for bioactive dendrimer based constructs as antagonists of the TLR4-MD-2-LPS complex
The cell surface interaction between bacterial lipopolysaccharide (LPS), Toll-like receptor 4 (TLR4) and MD-2 is central to bacterial sepsis syndromes and wound healing. We have shown that a generation (G) 3.5 polyamidoamine ...
Structural studies of biologically active glycosylated polyamidoamine (PAMAM) dendrimers
The partial modification of carboxylic acid terminated polyamidoamine (PAMAM) dendrimers with glucosamine has been reported to give dendrimer glucosamine conjugates novel immuno-modulatory and anti-angiogenic properties. ...
Targeting glycolysis : a fragment based approach towards bifunctional inhibitors of hLDH-5
hLDH-5 has emerged as a promising target for anti-glycolytic cancer chemotherapy. Here we report a first generation of bifunctional inhibitors, which show promising activity against hLDH-5.
Relative quantification of polyethylene glycol 400 excreted in the urine of male and female volunteers by direct injection electrospray-selected ion monitoring mass spectrometry
The use of polyethylene glycol 400 (PEG 400) as an excipient in oral formulations can have profound and differing effects on drug bioavailability in men and women; therefore an understanding of the pharmacokinetics of this ...
From sequence to 3D structure of hyperbranched molecules : application to surface modified PAMAM dendrimers
The molecular modeling of hyperbranched molecules is currently constrained by difficulties in model building, due partly to lack of parameterization of their building blocks. We have addressed this problem with specific ...