Molecular mechanics calculations of opioid ligands of the 4-arylpiperidine class.
Molecular mechanics calculations have been carried out on N-methyl-4-phenyl-4-piperidinols substituted at 2,3-, 2,5- and 2,6-positions with methyl groups. Besides the alcohols, their esters and methiodides were also studied. The molecular mechanics conformations have been compared with conformations determined experimentally by NMR or X-ray diffraction.
Kamath
S
S
Bombay College of Pharmacy, Kalina, Santacruz (E), Mumbai.
Coutinho
E
E
D000701:Analgesics, Opioid / Q000737:chemistry*; D008024:Ligands; D008968:Molecular Conformation; D015394:Molecular Structure; D010880:Piperidines / Q000737:chemistry*; D013816:Thermodynamics
D000701:Analgesics, Opioid; D008024:Ligands; D010880:Piperidines