Study of a comprehensive evaluation of interaction mechanism of the doxorubicinwith affibody to prevent the cytotoxicity of the drug when such complex molecule are used as an specific targeted drug delivery, by an in silico approach such as interaction mode,binding constant and binding site.The analysis of DOX binding site to affibody suggested that the types of interactions that contribute in ...

In the title compound, C(13)H(12)N(4)S, an amino N atom is connected to a 1,3-benzothia-zole fused-ring system and a dimethyl-substituted pyrimidine ring, these components being aligned [inter-planar dihedral angle = 1.9 (1)°]. The secondary amino N atom forms an inter-molecular N-H⋯N hydrogen bond to an N atom of the fused ring of an adjacent mol-ecule, generating a centrosymmetric cyclic hydr...

In the title compound, C(15)H(13)BrN(2)O, the pyrimidine ring adopts a skew boat conformation. The amino H atom forms an inter-molecular hydrogen bond with the carbonyl O atom of an adjacent mol-ecule, forming an inversion dimer. Another lone pair of electrons on the same carbonyl O atom acts as acceptor for another N-H⋯O inter-molecular hydrogen bond with a neighbouring mol-ecule, forming chai...

The title compound, C(16)H(12)O(5), common name: lucidin ω-methyl ether, exists as a planar mol-ecule (r.m.s. deviation = 0.04 Å). Within the mol-ecule, the 1-hydr-oxy group forms a hydrogen bond to the adjacent carbonyl O atom, and the 3-hydr-oxy group forms a hydrogen bond to the adjacent meth-oxy O atom. The meth-oxy O atom is disordered over two positions of equal occupancy.

In the title compound C13H10ClN3O3S, the benzoyl group maintains its trans conformation against the thiono group about the C-N bond and the intra-molecular hydrogen bond between the benzoyl O atom and thio-amide H atom. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules, forming chains along the b-axis direction. In addition, C-H⋯π inter-actions occur between a phenyl H atom and...

In the title compound, C6H6BrNO, the Br atom is displaced from the pyridine ring mean plane by 0.0948 (3) Å, while the hydroxyl O atom and the methyl C atom are displaced by 0.0173 (19) and 0.015 (3) Å, respectively. In the crystal, mol-ecules are linked via O-H⋯N hydrogen bonds, forming chains propagating along the a-axis direction. These chains are linked by C-H⋯Br hydrogen bonds, forming cor...

In the title complex, [Cu(C13H11N2O)Cl(C6H8N2)], the Cu(II) atom adopts a distorted tetra-hedral geometry being coordinated by the phenolic O atom and the azomethine N atom of the Schiff base ligand N-salicyl-idene 2-amino-pyridine, and by the 2-amino-pyridine N atom and a Cl atom. The pyridyl N atom of the Schiff base and the imino N atom of the 4-methyl-pyridine-2-yl-imino ligand are not invo...