Sentence examples for structures of the lead from inspiring English sources

The structures of the lead peptoids are consistent with a pharmacophore model generated from the interaction of various known inhibitors with the MDR-implicated transmembrane glycoprotein P-gp.

Molecular design was performed using X-ray cocrystal structures of the lead compound CH5015765 and natural Hsp90 inhibitor geldanamycin with Hsp90.

Chemical structures of the lead compound BAF11 and its derivatives.

This fraction was subjected to structural characterisation studies and the molecular weight and structure of the lead compound was determined using ESMS and NMR studies.

The NMR structure of the lead compound displayed similar conformational features of opioid and CCK ligands.

Molecular modeling on the X-ray crystal structure of the lead structure led to the design of potent PTP-1B inhibitors that show moderate selectivity against TC-PTP, a very closely related protein tyrosine phosphatase.

Compounds were designed based on the chemical structure of the lead compound ETP-46321, a potent PI3K inhibitor, previously reported by our group.

Equation 6 gives the N x ×N l eigenvalues with corresponding eigenvectors which determine the electronic structure of the lead system, where l under the vector c l corresponds to N l =4 orbitals s,p x,p y,p z.

Based on the X-ray structure of the lead compound 2 bound to renin we predicted that optimization of binding interactions to the prime site could offer an opportunity to further expand the scope of this chemotype.

In addition, docking study reveals that derivative 2e has a binding pattern close to the pattern observed in the structure of the lead fragment 5,6-dimethoxy-2-methylbenzothiazole bound to T-p53C-Y220C T-p53C-Y220C T-p53C-Y220C

Chemical modification of the core structure of the lead compound, (1), by replacement of the sulphur atom with a carbonyl group, hydroxyl group and 3-bromobenzylamine with the simultaneous presence of 4-fluorobenzoyl replacing the spirofusion afforded novel potent sigma-1 receptor ligands 7a f, 8a f and 9d e.