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Structure–activity relationship

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The large number of synthetic organic chemicals currently in production presents a major challenge for timely collection of detailed environmental data on each compound. The concept of structure biodegradability relationships (SBR) has been applied to explain variability in persistence among organic
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There can be no reasonable doubt that a relation exists between the physiological action of a substance and its chemical composition ... we are not aware that any approach has been made to the statement of a law connecting the physiological action of a substance with its chemical
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of several chemical classes, with resulting general themes, such as halogens generally conferring persistence under aerobic conditions. Subsequently, more quantitative approaches have been developed using principles of QSAR and often accounting for the role of
157:(1868). "V.—On the Connection between Chemical Constitution and Physiological Action. Part. I.—On the Physiological Action of the Salts of the Ammonium Bases, derived from Strychnia, Brucia, Thebaia, Codeia, Morphia, and Nicotia". 89:
chemicals in the environment. Early attempts generally consisted of examining the degradation of a homologous series of structurally related compounds under identical conditions with a complex "universal"
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The analysis of SAR enables the determination of the chemical group responsible for evoking a target biological effect in the organism. This allows modification of the effect or the
195:(1869). "XX.—On the Connection between Chemical Constitution and Physiological Action. Part II.—On the Physiological Action of the Ammonium Bases derived from Atropia and Conia". 292:
Mani, S.V.; Connell, D.W.; Braddock, R.D. (1991). "Structure activity relationships for the prediction of biodegradability of environmental pollutants".
126: 77: 17: 93:, typically derived from numerous sources. This approach revealed that the nature and positions of substituents affected the apparent 257:
Alexander, Martin; Lustigman, Bonnie K. (1966). "Effect of chemical structure on microbial degradation of substituted benzenes".
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This method was refined to build mathematical relationships between the chemical structure and the biological activity, known as
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to insert new chemical groups into the biomedical compound and test the modifications for their biological effects.
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Sims, Gerald K.; Sommers, Lee E. (1986). "Biodegradation of pyridine derivatives in soil suspensions".
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Relationship between a compound's chemical structure and its biological activity
329: 305: 208: 170: 343: 131: 90: 235: 270: 99: 80:(QSAR). A related term is structure affinity relationship (SAFIR). 83: 65:(typically a drug) by changing its chemical structure. 291: 256: 341: 197:Transactions of the Royal Society of Edinburgh 159:Transactions of the Royal Society of Edinburgh 78:quantitative structure–activity relationships 127:Quantitative structure–activity relationship 221: 187: 149: 259:Journal of Agricultural and Food Chemistry 294:Critical Reviews in Environmental Control 84:Structure-biodegradability relationship 14: 342: 224:Environmental Toxicology and Chemistry 102:(bioavailability) in chemical fate. 46:. This idea was first presented by 24: 122:Conformation activity relationship 38:) is the relationship between the 25: 361: 323: 32:structure–activity relationship 18:Structure-activity relationship 285: 250: 215: 181: 143: 13: 1: 137: 7: 330:Molecular Property Explorer 105: 54:at least as early as 1868. 10: 366: 306:10.1080/10643389109388416 209:10.1017/S0080456800035377 171:10.1017/S0080456800028155 112:Combinatorial chemistry 236:10.1002/etc.5620050601 193:Fraser, Thomas Richard 155:Fraser, Thomas Richard 69:use the techniques of 42:of a molecule and its 189:Brown, Alexander Crum 151:Brown, Alexander Crum 52:Thomas Richard Fraser 48:Alexander Crum Brown 350:Medicinal chemistry 271:10.1021/jf60146a022 44:biological activity 71:chemical synthesis 67:Medicinal chemists 63:bioactive compound 40:chemical structure 16:(Redirected from 357: 318: 317: 300:(3–4): 217–236. 289: 283: 282: 254: 248: 247: 219: 213: 212: 185: 179: 178: 147: 95:biodegradability 21: 365: 364: 360: 359: 358: 356: 355: 354: 340: 339: 326: 321: 290: 286: 255: 251: 220: 216: 186: 182: 148: 144: 140: 108: 86: 28: 23: 22: 15: 12: 11: 5: 363: 353: 352: 338: 337: 332: 325: 324:External links 322: 320: 319: 284: 265:(4): 410–413. 249: 230:(6): 503–509. 214: 203:(2): 693–739. 180: 165:(1): 151–203. 141: 139: 136: 135: 134: 129: 124: 119: 114: 107: 104: 85: 82: 26: 9: 6: 4: 3: 2: 362: 351: 348: 347: 345: 336: 333: 331: 328: 327: 315: 311: 307: 303: 299: 295: 288: 280: 276: 272: 268: 264: 260: 253: 245: 241: 237: 233: 229: 225: 218: 210: 206: 202: 198: 194: 190: 184: 177: 176:constitution. 172: 168: 164: 160: 156: 152: 146: 142: 133: 132:Pharmacophore 130: 128: 125: 123: 120: 118: 115: 113: 110: 109: 103: 101: 96: 92: 81: 79: 74: 72: 68: 64: 60: 55: 53: 49: 45: 41: 37: 33: 19: 297: 293: 287: 262: 258: 252: 227: 223: 217: 200: 196: 183: 174: 162: 158: 145: 87: 75: 56: 35: 31: 29: 173:. extract: 335:QSAR World 138:References 344:Category 314:95802805 279:98668501 244:93976768 117:Congener 106:See also 100:sorption 91:inoculum 59:potency 312:  277:  242:  310:S2CID 275:S2CID 240:S2CID 61:of a 50:and 30:The 302:doi 267:doi 232:doi 205:doi 167:doi 36:SAR 346:: 308:. 298:21 296:. 273:. 263:14 261:. 238:. 226:. 201:25 199:. 191:; 163:25 161:. 153:; 316:. 304:: 281:. 269:: 246:. 234:: 228:5 211:. 207:: 169:: 34:( 20:)

Index

Structure-activity relationship
chemical structure
biological activity
Alexander Crum Brown
Thomas Richard Fraser
potency
bioactive compound
Medicinal chemists
chemical synthesis
quantitative structure–activity relationships
inoculum
biodegradability
sorption
Combinatorial chemistry
Congener
Conformation activity relationship
Quantitative structure–activity relationship
Pharmacophore
Brown, Alexander Crum
Fraser, Thomas Richard
doi
10.1017/S0080456800028155
Brown, Alexander Crum
Fraser, Thomas Richard
doi
10.1017/S0080456800035377
doi
10.1002/etc.5620050601
S2CID
93976768

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