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Computer-Aided Lead Optimization: Improved Small-Molecule Inhibitor of the Zinc Endopeptidase of Botulinum Neurotoxin Serotype A

Optimization of a serotype-selective, small-molecule inhibitor of botulinum neurotoxin serotype A (BoNTA) endopeptidase is a formidable challenge because the enzyme-substrate interface is unusually large and the endopeptidase itself is a large, zinc-binding protein with a complex fold that is difficult to simulate computationally. We conducted multiple molecular dynamics...

Metabolome in schizophrenia and other psychotic disorders: a general population-based study

Background Persons with schizophrenia and other psychotic disorders have a high prevalence of obesity, impaired glucose tolerance, and lipid abnormalities, particularly hypertriglyceridemia and low high-density lipoprotein. More detailed molecular information on the metabolic abnormalities may reveal clues about the pathophysiology of these changes, as well as about disease...

VHZ is a novel centrosomal phosphatase associated with cell growth and human primary cancers

Background VHZ is a VH1-like (member Z) dual specific protein phosphatase encoded by DUSP23 gene. Some of the dual specific protein phosphatases (DSPs) play an important role in cell cycle control and have shown to be associated with carcinogenesis. Here, the expression of VHZ associated with cell growth and human cancers was investigated. Results We generated a mouse monoclonal...

Phospholipids and insulin resistance in psychosis: a lipidomics study of twin pairs discordant for schizophrenia

Background Several theories have been proposed to conceptualize the pathological processes inherent to schizophrenia. The 'prostaglandin deficiency' hypothesis postulates that defective enzyme systems converting essential fatty acids to prostaglandins lead to diminished levels of prostaglandins, which in turn affect synaptic transmission. Methods Here we sought to determine the...

Association of Lipidome Remodeling in the Adipocyte Membrane with Acquired Obesity in Humans

The authors describe a new approach to studying cellular lipid profiles and propose a compensatory mechanism that may help maintain the normal membrane function of adipocytes in the context of obesity.

Crowdsourced assessment of common genetic contribution to predicting anti-TNF treatment response in rheumatoid arthritis

Gopalacharyulu, Alok Jaiswal, Suleiman Ali Khan, Matti Pirinen, Janna Saarela, Jing Tang & Krister WennerbergDepartment of Computer Science, Aalto University, Espoo 02150, FinlandMuhammad Ammad-ud-din, Kerstin ... • PubMed • Google ScholarSearch for Hao Tang in:Nature Research journals • PubMed • Google ScholarSearch for Jing Tang in:Nature Research journals • PubMed • Google ScholarSearch for Ali Torkamani in:Nature

Prediction of human population responses to toxic compounds by a collaborative competition

added 12 additional authors to the list of “Other participants in the NIEHS-NCATS-UNC DREAM Toxicogenetics Collaboration,” including Alok Jaiswal, Antti Poso, Himanshu Chheda, Ismeet Kaur, Jing Tang, John ... StolovitzkyInstitute of Molecular Medicine Finland FIMM, University of Helsinki, Helsinki, Finland.Tero Aittokallio, Himanshu Chheda, Petteri Hintsanen, Alok Jaiswal, John-Patrick Mpindi, Jing Tang & Krister