The progression of drug discovery and development is time consuming costly. Advancing Computer-aided (ACADD) an effective tool in reducing the cost research development. This study deals with evaluation nuclear receptors for in-silico biological activity using ligand betulinic acid dexamethasone. Docking results showed that binding energy was -74.190 kcal/mol when compared standard (-51.551 kca...

background hymenodictyon excelsum is a medicinal plant traditionally used for tumor treatment as it contains phytochemicals of anthraquinone and coumarin class. objectives the aim of the present study was to unfold the therapeutic value of selected phytocompounds of hymenodictyon excelsum in prostate cancer. materials and methods eight phytochemicals were selected based on the literature search...

Abstract Hydrothermal synthesis, crystal structure and properties of a new heterometallic coordination polymer [(VO(terpy)) 4 (MoO ) 2 (Mo 8 O 26 )]·2H ( 1 (terpy = 2,2′;6′,2″-terpyridine) are reported. Compound contains two crystallographically unique vanadium(IV) atoms, bonded to terminal oxido ligand further coordinated terpy ligand. The three N atoms occupy the meridional sites distorted {V...

Integrins are cell-surface heterodimeric proteins that mediate cell-cell, cell-matrix, and cell-pathogen interactions. Half of the known integrin alpha subunits contain inserted domains (I domains) that coordinate ligand through a metal ion. Although the importance of conformational changes within isolated I domains in regulating ligand binding has been reported, the relationship between metal ...

The Src homology 3 (SH3) domain of pp60(c-src) (Src) plays dual roles in signal transduction, through stabilizing the repressed form of the Src kinase and through mediating the formation of activated signaling complexes. Transition of the Src SH3 domain between a variety of binding partners during progression through the cell cycle requires adjustment of a delicate free energy balance. Although...