The interaction between [Pt(phen)(pyrr-dtc)]NO3 (where phen = 1,10-phenanthroline and pyrr-dtc =pyrrolidinedithiocarbamat) with human serum albumin (HSA) was studied by fluorescence, UV–vis absorption, circular dichroism (CD) spectroscopy and molecular docking technique under like physiological condition in Tris–HCl buffer solution at pH 7.4. UV-Vis absorption spectroscopy indicates that the pro...

In this article, in the first part, we propose an artificial neural network-based intelligent technique to determine the quantitative structure-activity relationship (QSAR) among known aldose reductase inhibitors (ARIs) for diabetes mellitus using two molecular descriptors, i.e., the electronegativity and molar volume of functional groups present in the main ARI lead structure. We have shown th...

Interaction of proteins is essential for many biological processes in a cell. In recent years protein interaction networks have been drawing much attention, because of the availability of a large scale of experimental data of protein-protein interactions. The tertiary structure of a protein complex provides an essential information of its function, thus toward this end, several protein docking ...

An integrated coupled control strategy for a servicing spacecraft autonomously approaching and docking with a freely tumbling target is studied. To implement capturing successfully, the docking port of the servicing spacecraft should be always pointing to the docking port of target during close rendezvous and docking, which involves proximity maneuvering of coupled position and attitude simulta...

In this study, we developed and evaluated a novel parallel virtual screening strategy by integrating molecular docking and complex-based pharmacophore searching based on multiple protein structures. First, the capacity of molecular docking or pharmacophore searching based on any single structure from nine crystallographic structures of Rho kinase 1 (ROCK1) to distinguish the known ROCK1 inhibit...