Structure--antiadenoviral activity of nitrogen containing macroheterocycles and their analogues.
The search for the inhibitors of adenoviruses has been performed among the substances of new class NCM (nitrogen containing macroheterocycles) and their analogues that have high potential of pharmacological properties. We have found a number of NCM and their derivatives that inhibit the reproduction of adenoviruses to various degrees. For the prediction of NCM structure with antiadenoviral activity we have performed the computer modeling using QSAR approach on the basis of simplex representation of molecular structure (SiRMS).
Dyachenko
N S
NS
Institute of Microbiology and Virology, National Academy Sciences of Ukraine, 154 Zabolotny St., Kyiv, MSP D03680, Ukraine.
Nosach
L N
LN
Povnitsa
O Y
OY
Kuz'min
V E
VE
Artemenko
A G
AG
Lozitskaya
R N
RN
Basok
S S
SS
Alexeeva
I V
IV
Zhovnovataya
V L
VL
Vanden Eynde
J J
JJ
D000260:Adenoviruses, Human / Q000187:drug effects*; D000998:Antiviral Agents / Q000009:adverse effects / Q000737:chemistry / Q000494:pharmacology; D001372:Aza Compounds / Q000009:adverse effects / Q000737:chemistry / Q000494:pharmacology; D045744:Cell Line, Tumor; D002470:Cell Survival / Q000187:drug effects; D003588:Cytopathogenic Effect, Viral / Q000187:drug effects; D015195:Drug Design; D006571:Heterocyclic Compounds / Q000009:adverse effects / Q000737:chemistry / Q000494:pharmacology; D006801:Humans; D015394:Molecular Structure; D009584:Nitrogen / Q000737:chemistry*; D011725:Pyridines / Q000009:adverse effects / Q000737:chemistry / Q000494:pharmacology; D021281:Quantitative Structure-Activity Relationship; D014779:Virus Replication / Q000187:drug effects
D000998:Antiviral Agents; D001372:Aza Compounds; D006571:Heterocyclic Compounds; D011725:Pyridines; D009584:Nitrogen