Fundamentals of Medicinal Chemistry

N-Methylglucamine, 65

Methylb-D-glucoside, 16

Methylhistamines, 144

6-Methylthiopurine, 188

X-Methyltransferase, 192

Metoprolol, 210
Metronidazole, 68

Metronidazole 4-(morpholinylmethyl)

benzoate, 68

Michael addition, 141, 142

Miotine, 42

Mitoxantrone,

Mixed function oxidases, 186, 187

Molecular modelling, 72, 95–110

aspirin structures, 96, 99

bond bending energy, 99

bond stretching energy, 99, 100

bond torsion energy, 99

Born-Oppenheimer approximation, 106

butane, 106

computer graphics, 98

conformational analysis, 105

coordinates, 96, 97

creating a molecular model, 102–104

databases, 97

de novo design, 110

docking, 109–110, 145, 147, 152

dihydrofoate reductase structure, 99

electrostatic attractive and repulsive force

energy, 99, 101

force fields, 98, 110

general methods, 96–98

global minimum energy value/conformer,

104, 110

Hamilton operator, 106, 107

Hartree-Fock, 107, 108

Hook’s law, 100

INSIGHT II 103

introduction, 95–96

kinetic energy, 105

ligand binding, 109

local minimum energy value, 103, 104

molecular dynamics, 98, 99, 104–105

molecular mechanics, 96, 98–104, 109

Morse function, 100

Newtons laws, 105

operators, 106

paracetamol structure, 103

parameter values, 101

physical constant values, 108

potential energy, 98–101

pyrrole structure, 108

quantum mechanics, 96, 102, 104,

105–109

Schrodinger equation, 105, 106, 107, 108

van der Waals forces, total energy due to,

99, 101

vitamin E structure, 96

Monoamine oxidase, 186

Monosaccharides, 10, 11, 18

aldoses, 10

aldohexose, 11

anomeric carbon, 12, 15, 17

anomers, 12

configuration, 13

Haworth convention, 12

ketoses, 10

mutarotation, 12, 13, 17

nomenclature, 14, 15

structure,11

tautomerism, 14

Morphine, 74

Mureins, 18, 19

Muscarine, 248

Myrcene, 23

Naftifine, 133, 134

Neostigmine, 4

Nicotine, 169, 248

Nifedipine, 169

Nitrazepam, 169

Nitroglycine, 185

Noprylsulphamide, 69

Noradrenaline, 248

(þ) and () Norgestrel, 61

Nortriptyline, 169

Nucleic acids, 26

deoxyribonucleic acids, 26

nucleosides, 27

nucleotide, 26

ribonucleic acids (RNA), 26

Oestradiol, 22

Oleic acid, 20

1,2-Oleoyl-3-stearoylglycerol, 21

Oligosaccharides, 10, 11

disaccharides, 11

trisaccharides, 11

Organelles, 245

Oxazepam, 185

INDEX 281