Using comparative molecular field analysis approach, the interaction of 17 tetrahydroprotdederines to D1 reccptor and15 ones to D2 reccptor have ben studied by 3D-QsAR. respectively. The results indicated that the int...Using comparative molecular field analysis approach, the interaction of 17 tetrahydroprotdederines to D1 reccptor and15 ones to D2 reccptor have ben studied by 3D-QsAR. respectively. The results indicated that the interactions of THPBs withdopamine receplors were primarily clectrostatic interactions. with more positive charge in lignnd and more negative in receptor.展开更多
Based oil the models of dopanmine reccptors and tetrahydroprolobotherine complexes.we carried cul semiempiricalquantum of cmical calculations on the active sites of rcceptors and ligands. The results showed that foe f...Based oil the models of dopanmine reccptors and tetrahydroprolobotherine complexes.we carried cul semiempiricalquantum of cmical calculations on the active sites of rcceptors and ligands. The results showed that foe frontier melccular orbitals oflignod and receplor just matched cach other.which suggerted that ligand and receptor might form charge-transfer interaction.展开更多
文摘Using comparative molecular field analysis approach, the interaction of 17 tetrahydroprotdederines to D1 reccptor and15 ones to D2 reccptor have ben studied by 3D-QsAR. respectively. The results indicated that the interactions of THPBs withdopamine receplors were primarily clectrostatic interactions. with more positive charge in lignnd and more negative in receptor.
文摘Based oil the models of dopanmine reccptors and tetrahydroprolobotherine complexes.we carried cul semiempiricalquantum of cmical calculations on the active sites of rcceptors and ligands. The results showed that foe frontier melccular orbitals oflignod and receplor just matched cach other.which suggerted that ligand and receptor might form charge-transfer interaction.