References
- Borman , S . 2007 . Chem. & Engineer. News. . Drugs from Academia , 85 : 42 – 47 .
- online1.htm (accessed August 2007) http://www.molecularknowledge.com/Online/Estimation/ (http://www.molecularknowledge.com/Online/Estimation/)
- (accessed August 2007) http://vcclab.org/lab/alogps/start.html (http://vcclab.org/lab/alogps/start.html)
- (accessed August 2007) http://www.molinspiration.com/cgi-bin/properties (http://www.molinspiration.com/cgi-bin/properties)
- (accessed August 2007) http://www.organic-chemistry.org/prog/peo/index.html (http://www.organic-chemistry.org/prog/peo/index.html)
- (accessed August 2007) http://www.molsoft.com/mprop/ (http://www.molsoft.com/mprop/)
- (accessed August 2007) http://www.ibmc.msk.ru/PASS (http://www.ibmc.msk.ru/PASS)
- Di Giorgio , C . 2003 . In vitro activities of 7-substituted 9-chloro and 9-amino-2-methoxyacridines and their bis- and tetra-acridine complexes against Leishmania infantum . Antimicrob. Agents Chemother. , 47 : 174 – 180 .
- Aguirre , G . 2005 . Benzo[1,2-c]1,2,5-oxadiazole N-oxide derivatives as potential antitrypanosomal drugs. Part 3: Substituents-clustering methodology in the search for new active compounds . Bioorg. Med. Chem. , 13 : 6324 – 6335 .
- Goel , RK , Kumar , V and Mahajan , MP . 2005 . Quinazolines revisited: search for novel anxiolytic and GABAergic agents . Bioorg. Med. Chem. Lett. , 15 : 2145 – 2148 .
- Labanauskas , L . 2005 . Synthesis and anti-inflammatory activity of 1-acylaminoalkyl-3,4-dialkoxybenzene derivatives . Farmaco , 60 : 203 – 207 .
- Leonard , JT and Roy , K . 2006 . QSAR by LFER model of HIV protease inhibitor mannitol derivatives using FA-MLR, PCRA, and PLS techniques . Bioorg. Med. Chem. , 14 : 1039 – 1046 .
- Costa , MS . 2006 . Synthesis, tuberculosis inhibitory activity, and SAR study of N-substituted-phenyl-1,2,3-triazole derivatives . Bioorg. Med. Chem. , 14 : 8644 – 8653 .
- Liu , J . 2007 . A new class of anti-thrombosis hexahydropyrazino-[1′,2′:1,6]pyrido-[3,4-b]-indole-1,4-dions: design, synthesis, log K determination, and QSAR analysis . Bioorg. Med. Chem. , 15 : 5672 – 5693 .
- Zhao , M . 2007 . Studies on log P, retention time and QSAR of 2-substituted phenylnitronyl nitroxides as free radical scavengers . Eur. J. Med. Chem. , 42 : 955 – 965 .
- Tetko , IV . 2006 . Can we estimate the accuracy of ADME–Tox predictions . Drug Discovery Today , 11 : 700 – 707 .
- (accessed August 2007) http://www.logp.com (http://www.logp.com)
- (accessed August 2007) http://www.rxlist.com (http://www.rxlist.com)
- Eros , D . 2002 . Reliability of log P predictions based on calculated molecular descriptors: a critical review . Curr. Med. Chem. , 9 : 1819 – 1829 .
- Lagunin , A . 2000 . PASS: prediction of activity spectra for biologically active substances . Bioinformatics , 16 : 747 – 748 .
- Sadym , A . 2003 . Prediction of biological activity spectra via the Internet . SAR QSAR Environ. Res. , 14 : 339 – 347 .
- Poroikov , VV . 2000 . Robustness of biological activity spectra predicting by computer program PASS for non-congeneric sets of chemical compounds . J. Chem. Inform. Comput. Sci. , 40 : 1349 – 1355 .
- Poroikov , VV . 2003 . PASS biological activity spectrum predictions in the enhanced open NCI database browser . J. Chem. Inform. Comput. Sci. , 43 : 228 – 236 .
- Poroikov , V and Filimonov , D . 2005 . PASS: Prediction of biological activity spectra for substances, in Predictive Toxicology , Edited by: Helma , C . 459 – 478 . Boca Raton, , USA : Taylor & Francis .
- Dolzhenko , AV . 2003 . Substituted amides and hydrazides of dicarboxylic acids. Part 16. Synthesis and antibacterial activity of some amides and acylhydrazides of succinic acid, Pharmaceut . Chem. J. , 37 : 229 – 231 .
- Dolzhenko , AV . 2003 . Substituted amides and hydrazides of dicarboxylic acids. Part 14. Synthesis and antimicrobial and antiinflammatory activity of 4-antipyrylamides, 2-thiazolylamides, and 1-triazolylamides of some dicarboxylic acids . Pharmaceut. Chem. J. , 37 : 149 – 151 .
- Delmas , F . 2002 . In vitro activities of position 2 substitution-bearing 6-nitro- and 6-amino-benzothiazoles and their corresponding anthranilic acid derivatives against Leishmania infantum and Trichomonas vaginalis . Antimicrob. Agents and Chemother. , 46 : 2588 – 2594 .
- Di Giorgio , C . 2004 . In vitro activity of the beta-carboline alkaloids harmane, harmine, and harmaline toward parasites of the species Leishmania infantum . Exp. Parasitol. , 106 : 67 – 74 .
- Artiguenave , F . 2005 . The Tropical biominer project: mining old sources for new drugs . OMICS J. Integr. Biol. , 9 : 130 – 138 .
- Goel , RK . 2005 . PASS assisted search and evaluation of some azetidin-2-ones as C.N.S. active agents . J. Pharm. Pharmaceut. Sci. , 8 : 182 – 189 .
- Sernov , LN . 2005 . Synthesis and antiarrhythmic activity of 2-diethylamino-2′,6′-dimethylphenylacetamide derivatives . Pharmaceut. Chem. J. , 39 : 350 – 353 .
- Estrada-Soto , S . 2006 . Relaxant activity of 2-(substituted phenyl)-1H-benzimidazoles on isolated rat aortic rings: Design and synthesis of 5-nitro derivatives . Life Sci. , 79 : 430 – 435 .
- Seibert , SF . 2006 . Polyketides from the marine-derived fungus Ascochyta salicorniae and their potential to inhibit protein phosphatases . Org. Biomol. Chem. , 4 : 2233 – 2240 .
- Prabhakar , KR . 2006 . Identification and evaluation of antioxidant, analgesic/anti-inflammatory activity of the most active ninhydrin–phenol adducts synthesized . Bioorg. Med. Chem. , 14 : 7113 – 7120 .
- Marwaha , A , Goel , RK and Mahajan , MP . 2007 . PASS-predicted design, synthesis and biological evaluation of cyclic nitrones as nootropics . Bioorg. Med. Chem. Lett. , 17 : 5251 – 5255 .
- et , WMAbdou . 2007 . Eur. J. Med. Chem. . Synthesis, properties, and perspectives of gem-diphosphono substituted-thiazoles , 42
- Mornar , A . 2006 . Evaluation of different computer programs for prediction of molecular lipophylicity, in QSAR and Molecular Modelling in Rational Design of Bioactive Molecules , Edited by: Aki (Sener) , E and Yalcin , I . 238 – 239 . Turkey : Ankara .
- Geronikaki , A . 2004 . Design, synthesis, computational and biological evaluation of new anxiolytics . Bioorg. Med. Chem. , 12 : 6559 – 6568 .
- Geronikaki , A . 2004 . Design of new cognition enhancers: from computer prediction to synthesis and biological evaluation . J. Med. Chem. , 47 : 2870 – 2876 .