Structural simplification: an efficient strategy in lead optimization.
Acta Pharm Sin B
; 9(5): 880-901, 2019 Sep.
Article
em En
| MEDLINE
| ID: mdl-31649841
11ß-HSD, 11ß-hydroxysteroid dehydrogenase; 3D, three-dimensional; ADMET, absorption, distribution, metabolism, excretion and toxicity; AM2, adrenomedullin-2 receptor; BIOS, biology-oriented synthesis; CCK, cholecystokinin receptor; CGRP, calcitonin gene-related peptide; Drug design; Drug discovery; GlyT1, glycine transport 1; HBV, hepatitis B virus; HDAC, histone deacetylase; HLM, human liver microsome; JAKs, Janus tyrosine kinases; LE, ligand efficiency; Lead optimization; LeuRS, leucyl-tRNA synthetase; MCRs, multicomponent reactions; MDR-TB, multidrug-resistant tuberculosis; MW, molecular weight; NP, natural product; NPM, nucleophosmin; PD, pharmacodynamic; PK, pharmacokinetic; PKC, protein kinase C; Pharmacophore-based simplification; Reducing chiral centers; Reducing rings number; SAHA, vorinostat; SAR, structureâactivity relationship; SCONP, structural classification of natural product; Structural simplification; Structure-based simplification; TSA, trichostatin A; TbLeuRS, T. brucei LeuRS; ThrRS, threonyl-tRNA synthetase; VANGL1, van-Gogh-like receptor protein 1; aa-AMP, aminoacyl-AMP; aa-AMS, aminoacylsulfa-moyladenosine; aaRSs, aminoacyl-tRNA synthetases; hA3 AR, human A3 adenosine receptor; mTORC1, mammalian target of rapamycin complex 1
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01-internacional
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MEDLINE
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En
Ano de publicação:
2019
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Article