Результаты прогноза разных видов биологической активности эфиров терпенов и фторкарбоновых кислот по данным программы pass
Таблица 2.1.
|
Формула соединения |
Ра |
Рi |
Активность |
|
|
0,785 0,726 0,645
0,666 0,628
0,614 0,660 0,545 0,564 0,527 |
0,038 0,004 0,004
0,040 0,016
0,018 0,106 0,029 0,053 0,042 |
Transcription factor inhibitor Pediculicide Keratoses actinic (solar) treatment Antineoplastic (brain cancer) (+)-borneol dehydrogenase inhibitor Dermatologic Phosphatase inhibitor Antipsoriatic Tocolytic Menopausal disorders treatment |
|
|
0,849 0,825 0,777
0,660 0,671 0,640 0,675 0,565
0,569 0,557
0,573
0,565 0,551 0,530 0,515 0,549 |
0,005 0,024 0,018
0,013 0,064 0,046 0,100 0,005
0,022 0,017
0,035
0,033 0,035 0,043 0,033 0,091 |
Insulinotropin agonist Transcription factor inhibitor Cholesterol synthesis inhibitor Antipruritic, allergic Convulsant Antineoplastic (brain cancer) Phosphatase inhibitor Keratoses actinic (solar) treatment Antipsoriatic Microtubule formation stimulant Autoimmune disorders treatment Atherosclerosis treatment Dermatologic Antiinflammatory Antineurogenic pain Antineoplastic (colorectal cancer) |
|
|
0,769 0,728
0,766 0,673
0,705 0,658 0,635
0,601 0,574 0,601 0,553 0,531
0,534
0,542
0,575 0,521
0,512 |
0,003 0,001
0,048 0,010
0,087 0,079 0,061
0,038 0,016 0,056 0,035 0,022
0,039
0,068
0,105 0,056
0,098 |
Pediculicide Retinoic acid alpha receptor agonist Transcription factor inhibitor (+)-borneol dehydrogenase inhibitor Phosphatase inhibitor Hypercholesterolemic Cholesterol synthesis inhibitor Tocolytic Analeptic Antineoplastic (brain cancer) Dermatologic Microtubule formation stimulant Menopausal disorders treatment Alkenylglycerophosphoethanolamine hydrolase inhibitor Nerve growth factor agonist Peptidoglycan glycosyltransferase inhibitor GABA A receptor antagonist |
|
|
0,871 0,812
0,816 0,785 0,700
0,671 0,718 0,607 0,618
0,595
0,607 0,585
0,566 0,522
0,511 0,522 0,533 0,590 0,505 0,513 0,504 0,459
0,475 0,415 0,406 0,408 |
0,004 0,011
0,027 0,029 0,001
0,011 0,081 0,012 0,025
0,013
0,075 0,070
0,067 0,025
0,021 0,048 0,063 0,131 0,048 0,060 0,053 0,031
0,068 0,033 0,025 0,030 |
Insulinotropin agonist Cholesterol synthesis inhibitor Transcription factor inhibitor Convulsant Retinoic acid alpha receptor agonist Antipruritic, allergic Phosphatase inhibitor Antineurogenic pain Autoimmune disorders treatment Microtubule formation stimulant Nerve growth factor agonist Antineoplastic (colorectal cancer) Antineoplastic (brain cancer) Membrane permeability enhancer Rhinitis treatment Insulin promoter Spermicide Hypercholesterolemic Atherosclerosis treatment Antipruritic Antiinflammatory Rheumatoid arthritis treatment Immunosuppressant Interferon antagonist Antipruritic, non-allergic Antipyretic |
|
|
0,903 0,901 0,842
0,843 0,807 0,801 0,767 0,732
0,732 0,715 0,706 0,703
0,686
0,681 0,689 0,671
0,676
0,713 0,660 0,643
0,643 0,667 0,610 0,622 0,618 0,600 0,583 0,587
0,570 0,555 |
0,003 0,007 0,007
0,018 0,003 0,042 0,017 0,005
0,005 0,012 0,004 0,018
0,009
0,009 0,017 0,008
0,014
0,055 0,012 0,026
0,027 0,052 0,005 0,022 0,037 0,025 0,019 0,025
0,013 0,004 |
Insulinotropin agonist Convulsant Cholesterol synthesis inhibitor Transcription factor inhibitor Antineurogenic pain Phosphatase inhibitor Hypercholesterolemic Rheumatoid arthritis treatment Antipyretic Spermicide Anesthetic Alkenylglycerophosphoethanolamine hydrolase inhibitor (+)-borneol dehydrogenase inhibitor Antipruritic, allergic Nerve growth factor agonist Microtubule formation stimulant Autoimmune disorders treatment Acylglycerol lipase inhibitor Insulin promoter H+-exporting ATPase inhibitor Antipruritic Fibrinolytic Anesthetic local Antiinflammatory NADPH oxidase inhibitor Immunosuppressant Antihypercholesterolemic N-(long-chain-acyl)ethanolamine deacylase inhibitor Rhinitis treatment Expectorant |
|
|
0,893 0,844
0,800 0,802 0,760
0,794 0,785 0,761 0,793 0,721 0,725
0,714 0,705 0,714
0,731 0,689 0,666 0,674 0,667 0,667
0,643 0,634 0,683 0,625 0,627 0,620 0,610 0,651
0,617
0,640
0,601
0,602 0,577 0,568 0,552
0,580 0,586 |
0,001 0,003
0,008 0,032 0,009
0,046 0,037 0,017 0,055 0,005 0,012
0,018 0,021 0,036
0,074 0,032 0,013 0,023 0,019 0,028
0,005 0,010 0,058 0,005 0,015 0,010 0,003 0,047
0,014
0,058
0,025
0,032 0,029 0,020 0,005
0,034 0,042
|
Pediculicide (+)-borneol dehydrogenase inhibitor Hypercholesterolemic Transcription factor inhibitor Alkenylglycerophosphoethanolamine hydrolase inhibitor Phosphatase inhibitor Acylglycerol lipase inhibitor Cardiovascular analeptic Antiseborrheic Analeptic Cholestanetriol 26-monooxygenase inhibitor CYP2B5 substrate NADPH oxidase inhibitor Cholesterol synthesis inhibitor Hematotoxic Dextranase inhibitor N-(long-chain-acyl)ethanolamine deacylase inhibitor Ecdysone 20-monooxygenase inhibitor Tocolytic Nerve growth factor agonist Insecticide Spasmolytic, Papaverin-like Convulsant CYP2A5 substrate Dermatologic Glucan endo-1,3-beta-D-glucosidase inhibitor Plasmanylethanolamine desaturase inhibitor Prostaglandin-E2 9-reductase inhibitor Peptidoglycan glycosyltransferase inhibitor Erythropoietin CYP2A2 substrate Antiviral (Influenza) Alkylglycerophosphoethanolamine phosphodiesterase inhibitor Cholesterol antagonist 1-Alkyl-2-acetylglycerophosphocholine esterase inhibitor |
