Various antiviral agents have been tested in vitro and in animal models, including ribavirin, protease inhibitors, receptor-binding inhibitors, virus-cell fusion inhibitors, and nitric oxide inducers and miscellaneous compounds such as chloroquine (Erik de Clercq, University of Leuven, Leuven, Belgium).
For 55 miscellaneous compounds, some correlations between kOH and constitutional descriptors such as nC = C or double bond equivalence (DBE), geometric such as SAS, and quantum-chemical such as α were found.
(PDF 20 KB) 13065_2009_242_MOESM3_ESM.PDF Additional file 3: Miscellaneous compounds.
Miscellaneous compounds not covered by the BASs are also listed.
These miscellaneous compounds have cytotoxic, anti-inflammatory, antihypertensive, anti-oxidant, and antifungal properties.
(1997) for 14 miscellaneous compounds (Table S7).
Differentially used carbon compounds included carbohydrates (n = 13), polymers (n = 3), amino acids (n = 1), and miscellaneous compounds (n = 2).
Miscellaneous compounds are known to be uncouplers, but weakly acidic uncouplers are representative because they show very potent activities.
Of the miscellaneous compounds tested, phenobarbital, deoxycholic acid and ethynyl estradiol also induced gamma-glutamyl transpeptidase (gamma-GT) positive foci.
Finally, for 387 miscellaneous compounds, the Koc was estimated using several moment descriptors (M0, M2, M3, Macc, Mdon; Klamt et al., 2002), and for 65 PCOC, the relationship based on several quantum-chemical descriptors such as EHOMO, TE or μ showed good results (r = 0.854; Table S7; Dai et al., 1999; Table S7).
Atom type E-state index and topological descriptors (essentially MCI) were correlated to the SW of pharmaceuticals and miscellaneous compounds (Huuskonen, 2000; Huuskonen et al., 1997, 1998).
