Cyclophilin D (CypD) is a peptidyl prolyl isomerase F that resides in the mitochondrial matrix and associates with the inner mitochondrial membrane during the mitochondrial membrane permeability transition. CypD plays a central role in opening the mitochondrial membrane permeability transition pore (mPTP) leading to cell death and has been linked to Alzheimer's disease (AD). Because CypD intera...

From the laboratoire d'Immunologie Clinique, Institut Gustave-Roussy, Villejuif, France; the laboratoire d'Immunologie Cellulaire, IRSC, Villejuif France; the laboratoire d'Immunologie, Institut National de la Santg et de la Recherche Medicale U80, Hdpital E. Herriot, Lyon, France," the Department of Pediatrics, University of Washington, Seattle, Washington; and the laboratoire de Ggngtique de ...

AIM Platelets plays a central role in hemostatic processes and consequently are similarly involved in pathological processes, such as arterial thrombosis and atherosclerosis. Herein we described the synthesis, antiplatelet profile and structure-activity relationship (SAR) of a new series of N'-substitutedphenylmethylene-1H-pyrazolo[3,4-b]pyridine-carbohydrazide derivatives (3a-3k). METHODS Th...

Successful drug discovery often requires optimization against a set of biological and physical properties. We describe de novo design studies that demonstrate successful scaffold hops between known classes of ligands for p38 MAP kinases using ligand-based and structurebased multi-parameter scoring functions coupled to the molecular invention engine Muse. The ligand-based scoring function includ...

Recently, adopted technologies to cope with this type of scientific demand in terms of drug development and testing are the applications of in silico techniques used in pharmaceutical companies in the process of drug discovery (Ndibewu et al., 2012; Vallero, 2012; Lipinski et al., 1997; Leeson & Springthorpe, 2007). Two fast growing examples involve the use of cheminformatics (also known as che...

Lipinski and Gupta (2005) report the results of 12 experiments and numerous analyses that attempted to examine further the effects of phonotactic probability originally reported in Vitevitch and Luce (1998, & further explored in Vitevitch & Luce 1999). They suggested that Vitevitch and Luce s results were due to differences in the duration of the stimuli rather than to differences in phonotacti...

We present an algorithm for the design of either combinatorial or discrete informative libraries. This approach is based on information theoretic techniques used extensively in coding theory. We have extended the information theoretic formalism to include an arbitrary number of property distribution constraints, such as Lipinski "drug-like" distributions. The method is demonstrated by comparing...

Dominic Lipinski/PA Patients receive covid-19 vaccines at an NHS vaccination centre set up in the grounds of Epsom Downs racecourse Surrey. The site, with six other mass centres London, Newcastle, Manchester, Birmingham, Bristol, …

Nine new dihydrochloride salts of 3-(4-arylpiperazin-1-yl)-2-hydroxypropyl 4-alkoxyethoxybenzoates were designed and synthesized. The physicochemical properties such as lipophilicity index (log kw) and dissociation constant (pKa) were experimentally determined and compared to the software calculated data. The lipophilicity index was determined by means of reversed-phase high performance liquid ...

University distance-learning activities call for the reproduction of digital works, their physical distribution and, above all, their communication and availability to the students. The most likely event is that these works are copyrighted, so that university professors or personnel must often deal with matters regarding copyright, permission, licenses, or even possible liability due to infract...