Current Drug Discovery Technologies - Volume 13, Issue 4, 2016

The various reported in silico screening protocols such as molecular docking are associated with various drawbacks as well as benefits. In molecular docking, on interaction with ligand, the protein or receptor molecule gets activated by adopting conformational changes. These conformational changes cannot be utilized to predict the 3D structure of a protein-ligand complex from unbound protein conformations Read More

Persian or Russian olive (Elaeagnus angustifolia L.), from the family Elaeagnaceae, is a nitrogen-fixing thorny shrub extensively used in traditional medicine to alleviate pain and treat rheumatoid arthritis, osteoarthritis, gastrointestinal problems, fever, and asthma. The current review has tried to give a concise overview of the phytochemistry and pharmacological properties of the plant from published data. Accordingly, publish Read More

Drug discovery is a highly complicated, tedious and potentially rewarding approach associated with great risk. Pharmaceutical companies literally spend millions of dollars to produce a single successful drug. The drug discovery process also need strict compliance to the directions on manufacturing and testing of new drug standards before their release into market. All these regulations created the necessity to develo Read More

Background: Two main factors can affect the development of ebolavirus immunotherapeutics: the vast peptide commonality between ebolavirus and human proteins, and the high rate of spontaneous mutation of ebolavirus within its human host. Indeed, the viral versus human peptide overlap may represent a relevant source of autoimmune crossreactions following vaccination, while ebolavirus genome mutations can li Read More

Background: Alzheimer's disease is the most common form of dementia, characterized by loss of neurons and synapses in the cerebral cortex and certain subcortical regions, leading to altered and unsuitable activities. In this study, we focused on the influence of rndom selection (RS) and SOMs (self-organizing maps) data splitting on the external predictivity of quantitative structure-property relationship (QSPR) models of some N Read More

Background: Curcumin has been shown to possess strong cytotoxic effect against various cancer cell lines. However, curcumin has not applied as a drug for treatment of cancer yet due to low solubility in water and low bioavailability. The aims of this study were to prepare a new polyethylene glycol (PEG) conjugated curcumin and to evaluate its antitumor activity in vitro. Methods: PEG-CUR was prepared by the reaction betwee Read More