TY  - CONF
AU  - Lazić, Anita
AU  - Gak Simić, Kristina
AU  - Trišović, Nemanja
AU  - Bačević, Milena
AU  - Banjac, Nebojša
PY  - 2021
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6785
AB  - Succinimide (pyrrolidine-2,5-dione) derivatives are organic compounds with a wide spectrum of pharmacological activities. Analogs of this cyclic ureide are well-known anticonvulsants (ethosuccinimide, metosuccinimide and fensuccinimide), antipsychotics, and sedatives, anticancer and antiviral agents. In this paper, using a modified microwave procedure, two succinimide derivatives were synthetized and completely structurally characterized by melting point, as well as FT-IR/ATR, 1H NMR, 13C NMR and elemental analysis. The impact of chemical structure on the pharmacological potential of succinimide derivatives was evaluated using the pioneering "rule of five", Veber, Egan, and Ghose’s empirical criteria, as well as using different in silico methods. Obtained values of molecular descriptors were compared with the characteristic values for reference drugs such as methosuccinimide and ethosuccinimide. Calculated molecular descriptors suggest that the investigated compounds fulfill necessary empirical criteria which qualify them as interesting drug candidates. The obtained descriptors indicate a high degree of gastrointestinal absorption (98%) of the synthesized succinimide derivatives. They are expected to successfully pass through the blood-brain barrier due to the adequate lipophilicity. Also, depending on the electronic characteristics of the substituents attached to the phenyl core, the studied compounds can act as activators or inhibitors of different cytochrome P450 isoenzymes.
PB  - Leskovac : Faculty of Technology
C3  - Proceedings / 14th Symposium with International Participation "Novel Technologies and Economic Development" Leskovac, October, 22-23, 2021
T1  - Estimation of drug-likeness properties of selected disubstituted pyrrolidine-2,5-dione derivatives
EP  - 37
SP  - 31
UR  - https://hdl.handle.net/21.15107/rcub_technorep_6785
ER  - 

@conference{
author = "Lazić, Anita and Gak Simić, Kristina and Trišović, Nemanja and Bačević, Milena and Banjac, Nebojša",
year = "2021",
abstract = "Succinimide (pyrrolidine-2,5-dione) derivatives are organic compounds with a wide spectrum of pharmacological activities. Analogs of this cyclic ureide are well-known anticonvulsants (ethosuccinimide, metosuccinimide and fensuccinimide), antipsychotics, and sedatives, anticancer and antiviral agents. In this paper, using a modified microwave procedure, two succinimide derivatives were synthetized and completely structurally characterized by melting point, as well as FT-IR/ATR, 1H NMR, 13C NMR and elemental analysis. The impact of chemical structure on the pharmacological potential of succinimide derivatives was evaluated using the pioneering "rule of five", Veber, Egan, and Ghose’s empirical criteria, as well as using different in silico methods. Obtained values of molecular descriptors were compared with the characteristic values for reference drugs such as methosuccinimide and ethosuccinimide. Calculated molecular descriptors suggest that the investigated compounds fulfill necessary empirical criteria which qualify them as interesting drug candidates. The obtained descriptors indicate a high degree of gastrointestinal absorption (98%) of the synthesized succinimide derivatives. They are expected to successfully pass through the blood-brain barrier due to the adequate lipophilicity. Also, depending on the electronic characteristics of the substituents attached to the phenyl core, the studied compounds can act as activators or inhibitors of different cytochrome P450 isoenzymes.",
publisher = "Leskovac : Faculty of Technology",
journal = "Proceedings / 14th Symposium with International Participation "Novel Technologies and Economic Development" Leskovac, October, 22-23, 2021",
title = "Estimation of drug-likeness properties of selected disubstituted pyrrolidine-2,5-dione derivatives",
pages = "37-31",
url = "https://hdl.handle.net/21.15107/rcub_technorep_6785"
}

Lazić, A., Gak Simić, K., Trišović, N., Bačević, M.,& Banjac, N.. (2021). Estimation of drug-likeness properties of selected disubstituted pyrrolidine-2,5-dione derivatives. in Proceedings / 14th Symposium with International Participation "Novel Technologies and Economic Development" Leskovac, October, 22-23, 2021
Leskovac : Faculty of Technology., 31-37.
https://hdl.handle.net/21.15107/rcub_technorep_6785

Lazić A, Gak Simić K, Trišović N, Bačević M, Banjac N. Estimation of drug-likeness properties of selected disubstituted pyrrolidine-2,5-dione derivatives. in Proceedings / 14th Symposium with International Participation "Novel Technologies and Economic Development" Leskovac, October, 22-23, 2021. 2021;:31-37.
https://hdl.handle.net/21.15107/rcub_technorep_6785 .

Lazić, Anita, Gak Simić, Kristina, Trišović, Nemanja, Bačević, Milena, Banjac, Nebojša, "Estimation of drug-likeness properties of selected disubstituted pyrrolidine-2,5-dione derivatives" in Proceedings / 14th Symposium with International Participation "Novel Technologies and Economic Development" Leskovac, October, 22-23, 2021 (2021):31-37,
https://hdl.handle.net/21.15107/rcub_technorep_6785 .