药物设计-基于结构和配体的方法

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药物设计-基于结构和配体的方法 1741条(本栏目收费,不能显示细节,电话13136136841)

AMP sites and, 259–261 259 261

design of, 261–262 261 262

for diabetes, 257 257

docking of, 257–258, 259–261 257 258 259 261

energy calculations for, 262 262

features of, 257 257

phenyl diacid compounds and, 258,262 258 262

putative binding pocket prediction for,258–259 258 259

synthesis of, 261–262 261 262

for HMGP, 257 257

ITC for, 61 61

linear scaling in, 130–131 130 131

molecular profiles for, 61 61

HST screening for, 61 61

for p38, 197–206 197 206

DFG-out binding pocket and, 201–202 201 202

five-membered heterocyclic core,205–206 205 206

fused heterocyclics and, 199–201 199 201

indoles and, 204 204

pyrazolopyrimidines and, 202 202

with pyrimidines, 197–199 197 199

with thiazoles, 202–204 202 204

with triazines, 197–199 197 199

parameters of, 120 120

physics-based models for, 61 61

quantum mechanics in, 120–127,128–129, 131, 133 120 127 128 129 131 133

catalysis and, 128 128

CoMFA method in, 132 132

CoMSIA method in, 132 132

ESP maps and, 127–131 127 131

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