Detail publikace

2-Methyl-6-(4-aminophenyl)-4,5-dihydro-3(2H)-pyridazinone Synthon for Some New Annelated 1,2,3-Selena/Thiadiazoles and 2H-Diazaphospholes with Anticipated Biological Activity and Quantum Chemical Calculations

EL-SHAMY, I. HLELI, E. EL-HASHASH, M. KELNAR, I. ABDELLATIF, A.

Originální název

2-Methyl-6-(4-aminophenyl)-4,5-dihydro-3(2H)-pyridazinone Synthon for Some New Annelated 1,2,3-Selena/Thiadiazoles and 2H-Diazaphospholes with Anticipated Biological Activity and Quantum Chemical Calculations

Typ

článek v časopise ve Web of Science, Jimp

Jazyk

angličtina

Originální abstrakt

A convenient and efficient synthetic protocol for the new selenadiazole. Thiadiazole and diazaphosphole derivatives incorporating a pyridazine moiety originating from 4-(4-aminophenyl)-4-oxobutanoic acid (1) were described. All newly synthesized compounds were evaluated for their antimicrobial activity using the disk diffusion method, and their cytotoxicity was evaluated against brine shrimp lethality bioassay. Using density functional theory (DFT), the frontier molecular orbital (FMO) and molecular electrostatic potential (MEPS) were studied to estimate the chemical reactivity and kinetic stability of each structure. Therefore, global descriptor parameters like electronegativity (chi), chemical hardness (eta), and global softness (sigma) were calculated. Consequently, the attained results were compared with the experimental data of the biological activity of the studied structures.

Klíčová slova

selenadiazole; thiadiazole; pyridazinone; antimicrobial activity; cytotoxicity; DFT calculations

Autoři

EL-SHAMY, I.; HLELI, E.; EL-HASHASH, M.; KELNAR, I.; ABDELLATIF, A.

Vydáno

28. 1. 2023

Nakladatel

MDPI

Místo

BASEL

ISSN

1420-3049

Periodikum

MOLECULES

Ročník

28

Číslo

3

Stát

Švýcarská konfederace

Strany od

1

Strany do

17

Strany počet

17

URL

https://www.mdpi.com/1420-3049/28/3/1280

Plný text v Digitální knihovně

http://hdl.handle.net/11012/213582

BibTex

@article{BUT183751,
  author="Ibrahim E. {El-Shamy} and Emna {Hleli} and Maher A. {El-Hashash} and Ivan {Kelnar} and Abdelmohsen Moustafa {Abdellatif}",
  title="2-Methyl-6-(4-aminophenyl)-4,5-dihydro-3(2H)-pyridazinone Synthon for Some New Annelated 1,2,3-Selena/Thiadiazoles and 2H-Diazaphospholes with Anticipated Biological Activity and Quantum Chemical Calculations",
  journal="MOLECULES",
  year="2023",
  volume="28",
  number="3",
  pages="17",
  doi="10.3390/molecules28031280",
  issn="1420-3049",
  url="https://www.mdpi.com/1420-3049/28/3/1280"
}