Docking analysis for identification of lead compound and 3d pharmacophore generation against gsk-3ß involved in bipolar disorder.

Bipolar disorder is a psychiatric illness that strikes between mania and depression, caused by both genetic and environmental factors. It is the sixth leading cause of disability worldwide and 3% of the global population suffers from this disorder. Focusing on the drugs used for psychotherapy and their associated side effects, there is a need to design and develop new anti-bipolar drugs with lesser side effects and improved efficacy. Molecular docking and pharmacophore modeling were performed to identify lead and the construction of pharmacophore triangle. One compound demonstrated best docking results that fit appropriately in the pocket of protein. In this study, an efficient compound for GSK-3B involved in bipolar disorder was identified through docking analysis. Distances were calculated among pharmacophore features like Aromatic Ring, Hydrophobic, HBD and HBA. Pharmacophore triangle was designed for three different classes that are Aromatic, HBD and HBA. This pharmacophore modeling can be useful for designing of novel drugs because this 3D pharmacophore showed best merging properties.

Tolerogenic dendritic cell reporting: Has a minimum information model made a difference?

Minimum information models are reporting frameworks that describe the essential information that needs to be provided in a publication, so that the work can be repeated or compared to other work. In 2016, Minimum Information about Tolerogenic Antigen-Presenting cells (MITAP) was created to standardize the reporting on tolerogenic antigen-presenting cells, including tolerogenic dendritic cells (tolDCs). tolDCs is a generic term for dendritic cells that have the ability to (re-)establish immune tolerance; they have been developed as a cell therapy for autoimmune diseases or for the prevention of transplant rejection. Because protocols to generate these therapeutic cells vary widely, MITAP was deemed to be a pivotal reporting tool by and for the tolDC community. In this paper, we explored the impact that MITAP has had on the tolDC field. We did this by examining a subset of the available literature on tolDCs. Our analysis shows that MITAP is used in only the minority of relevant papers (14%), but where it is used the amount of metadata available is slightly increased over where it is not. From this, we conclude that MITAP has been a partial success, but that much more needs to be done if standardized reporting is to become common within the discipline.