https://oldena.lpnu.ua/handle/ntb/42071| Title: | Correlation between IN SILICO and IN VITRO results of 1-(benzoyloxy)urea and its derivatives as potential anti-cancer drugs |
| Other Titles: | Кореляція IN SILICO та IN VITRO результатів дослідження 1-(бензоїлокси)сечовини та її похідних як потенційних протиракових препаратів |
| Authors: | Hardjono, Suko Siswodihardjo, Siswandono Pramono, Purwanto Darmanto, Win |
| Affiliation: | Faculty of Pharmacy, Universitas Airlangga, Jl. Darmawangsa Dalam Surabaya 60282, Indonesia Faculty of Science and Technology, Universitas Airlangga Surabaya, Indonesia |
| Bibliographic description (Ukraine): | Correlation between IN SILICO and IN VITRO results of 1-(benzoyloxy)urea and its derivatives as potential anti-cancer drugs / Suko Hardjono, Siswandono Siswodihardjo, Purwanto Pramono, Win Darmanto // Chemistry & Chemical Technology. — Lviv : Lviv Politechnic Publishing House, 2017. — Vol 11. — No 1. — P. 19–24. |
| Bibliographic description (International): | Correlation between IN SILICO and IN VITRO results of 1-(benzoyloxy)urea and its derivatives as potential anti-cancer drugs / Suko Hardjono, Siswandono Siswodihardjo, Purwanto Pramono, Win Darmanto // Chemistry & Chemical Technology. — Lviv : Lviv Politechnic Publishing House, 2017. — Vol 11. — No 1. — P. 19–24. |
| Is part of: | Chemistry & Chemical Technology, 1 (11), 2017 |
| Issue: | 1 |
| Volume: | 11 |
| Issue Date: | 20-Jan-2017 |
| Publisher: | Lviv Politechnic Publishing House |
| Keywords: | 1-(бензоїлокси)сечовина похідні in vitro in silico 1-(benzoyloxy)urea derivatives in silico test in vitro test rerank score |
| Number of pages: | 6 |
| Page range: | 19-24 |
| Start page: | 19 |
| End page: | 24 |
| Abstract: | За модифікованою реакцією Шоттена-
Баумана з додаванням хлористого бензоїлу або його гомологів
до гідроксисечовини в тетрагідрофурані синтезовано 1-(бен-
зоїлокси)сечовину та її похідні. Структуру синтезованих
речовин підтверджено UV-Vis та інфрачервоною спектро-
скопією, методами 1Н ЯМР, 13С ЯМР і мас-спектроскопією.
Дослідження in silico стосовно протипухлинної активності 1-
(бензоїлокси)сечовини та її похідних у ферменті рібонук-
леотідредуктази (PDB:2EUD) проведено за допомогою
програми Molegro. Протиракову активність за методом in
vitro визначали за допомогою методу ММТ до колоній клітин
HeLa. Показано, що результати in silico (Rerank Score)
корелюють з результатами in vitro (log1/IC50). Визначено
лінійну залежність між результатaми in silico та in vitro. 11-(Benzoyloxy)urea and its derivatives were synthesized by modified Scotten-Bauman reaction with adding benzoyl chloride or homologs to hydroxyurea in tetrahydrofuran. Structure characterization was conducted based on ultra-violet (UV-VIS) spectrum, infrared (FT-IR), H nucleus magnetic resonance (1H NMR), C nuclear magnetic resonance (13C NMR) and mass spectrometry (MS). In silico test to predict anti-cancer activity of 1-(benzoyloxy)urea and its derivatives in ribonucleotide reductase enzyme (PDB: 2EUD) was done using Molegro Program. The anti-cancer activity test was performed in vitro by using MTT method to HeLa cell lines. In silico test result (Rerank Score) was correlated relative to anti-cancer activity (log1/IC50). There was a significant linear relationship between in vitro and in silico anti-cancer activity. |
| URI: | https://ena.lpnu.ua/handle/ntb/42071 |
| Copyright owner: | © Національний університет „Львівська політехніка“, 2017 © Hardjono S., Siswodihardjo S., Pramono P., Darmanto W., 2017 |
| URL for reference material: | http://www.depkes.go.id/resources/download/general/ http://www.komputasi.lipi.go.id http://ccrcfarmasiugm.wordpress.com/protokol |
| References (Ukraine): | [1] www.depkes.go.id. [2] http://www.depkes.go.id/resources/download/general/ Hasil%20 Riskesdas%202013.pdf.; 27/4/2015 [3] Wiestler O., Haendler B. and Mumberg D.: Cancer Stem Cells, Novel Concepts and Prospects for Tumor Therapy, Ernst Schering Found. Symp. Proc., Germany, Berlin 2007. [4] Navarra P. and Preziosi P.: Crit. Rev. Oncology/Hematology,1999, 29, 249. [5] Khayat A., Guimaraes A., Cardoso P. et al.: Genet. Mol. Biol.,2004, 27, 115. [6] Chabner B. and Calabresi P.: Chemotherapy of Neoplastic Diseases. [in:] Goodman&Gilman’s, The Pharmacological Basis of Therapeutics, 10th edn. McGraw-Hill, New York 2001, 1388-1445. [7] http://www.komputasi.lipi.go.id. 16/12/2007. [8] Jenzen F.: Introduction to Computational Chemistry, 2nd edn. Odense, Denmark 2007. [9] Korolkovas A.: Essentials of Medicinal Chemistry, 2nd edn. John Wiley and Sons, New York, Singapore 1988. [10] Topliss J.: J. Med. Chem, 1972, 15, 1006. [11] Xu H., Faber C., Uchiki T. et.al.: PNAS, 2006, 103, 4028. [12] Clayden J., Geeves N. and Warren S.: Organic Chemistry, 2nd edn. Oxford University Press, NY 2012. [13] Zinner G. and Staffel R.: Arc. Pharm. Ber. Ges., 1969, 302,438. [14] Siverstein R., Webster F. and Kiemle D.: Spectrofotometric Identification of Organic Compound, 7th edn. John Wiley and Sons Inc., NY 2005. [15] http://ccrcfarmasiugm.wordpress.com/protokol. 20/3/2012. [16] Hardjono S., Siswodihardjon S., Pramono P. and DarmantoW.: Curr. Drug Disc. Technol., 2016, 13, 101. |
| References (International): | [1] www.depkes.go.id. [2] http://www.depkes.go.id/resources/download/general/ Hasil%20 Riskesdas%202013.pdf.; 27/4/2015 [3] Wiestler O., Haendler B. and Mumberg D., Cancer Stem Cells, Novel Concepts and Prospects for Tumor Therapy, Ernst Schering Found. Symp. Proc., Germany, Berlin 2007. [4] Navarra P. and Preziosi P., Crit. Rev. Oncology/Hematology,1999, 29, 249. [5] Khayat A., Guimaraes A., Cardoso P. et al., Genet. Mol. Biol.,2004, 27, 115. [6] Chabner B. and Calabresi P., Chemotherapy of Neoplastic Diseases. [in:] Goodman&Gilman’s, The Pharmacological Basis of Therapeutics, 10th edn. McGraw-Hill, New York 2001, 1388-1445. [7] http://www.komputasi.lipi.go.id. 16/12/2007. [8] Jenzen F., Introduction to Computational Chemistry, 2nd edn. Odense, Denmark 2007. [9] Korolkovas A., Essentials of Medicinal Chemistry, 2nd edn. John Wiley and Sons, New York, Singapore 1988. [10] Topliss J., J. Med. Chem, 1972, 15, 1006. [11] Xu H., Faber C., Uchiki T. et.al., PNAS, 2006, 103, 4028. [12] Clayden J., Geeves N. and Warren S., Organic Chemistry, 2nd edn. Oxford University Press, NY 2012. [13] Zinner G. and Staffel R., Arc. Pharm. Ber. Ges., 1969, 302,438. [14] Siverstein R., Webster F. and Kiemle D., Spectrofotometric Identification of Organic Compound, 7th edn. John Wiley and Sons Inc., NY 2005. [15] http://ccrcfarmasiugm.wordpress.com/protokol. 20/3/2012. [16] Hardjono S., Siswodihardjon S., Pramono P. and DarmantoW., Curr. Drug Disc. Technol., 2016, 13, 101. |
| Content type: | Article |
| Appears in Collections: | Chemistry & Chemical Technology. – 2017. – Vol. 11, No. 1 |
| File | Description | Size | Format | |
|---|---|---|---|---|
| 2017v11n1_Hardjono_S-Correlation_between_IN_SILICO_19-24.pdf | 3.08 MB | Adobe PDF | View/Open | |
| 2017v11n1_Hardjono_S-Correlation_between_IN_SILICO_19-24__COVER.png | 489.25 kB | image/png | View/Open |
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