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Synthesis and molecular structure of 4-nitro-9-phenyl-1H-and 9-hydroxy-3-oxo-9-phenyl-2,3-dihydro-9H-indeno-[2,1-c]pyridines and 3,7-diphenyl-3a, 4,5,6-tetrahydroindeno[2,1-c]isoxazolo[5,4-d]pyridine

“…This fact indicates that the nuclei indicated are spatially close, which is only possible in the case of structure 5. In conclusion we note that nitro compound 2a, according to the prediction of the internet program PASS [10], is promising for biotesting as an agent for the treatment of psychosexual disorders, Alzheimer's disease, and hypertonia.…”

Synthesis and crystal structure of 5-methyl-2-(N-anabasinyl)-5,6-dihydro-1,3-thiazin-4-one from the alkaloid anabasine

“…In general the ring is stabilized by the anti-orientation of the carbonyl and methyl groups (torsion angle O1C15C16C18 = 97.1°). Computer prediction of the biological activity of 3 using the on-line [10] PASS program (Prediction of Activity Spectra for Substances), which can predict a large number of probable types of biological activity based on the structural formula [11], showed very high coefficients for manifestation of nootropic activity (probability coefficient for manifestation of such activity P a = 0.944; probability coefficient for lack of this type of activity P i = 0.003). …”

Molecular design and targeted synthesis of N-substituted 4-oxo-1,4-dihydropyrimidine derivatives on the basis of inhibitory neurotransmitters

“…The high probability of producing membrane-stabilizing activity was presumably due to the 4-oxopyrimidine nucleus that affects peroxide oxidation of lipids in membranes and thrombocyte aggregation [8]. The possible effect on the immune system was apparently related to the structural analogy of the predicted compounds to a-interferon agonists, data for which are included in the PASS program database [9].…”