Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy frameworks and in-Silico drug-targeting PFKFB3 kinase of novel triazolequinoxalin derivative (TZQ) as a therapeutic Strategy against cancer

Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy frameworks and in-Silico drug-targeting PFKFB3 kinase of novel triazolequinoxalin derivative (TZQ) as a therapeutic Strategy against cancer

Overall, drug design is a dynamic and evolving field, with researchers constantly working to improve their understanding of molecular interactions, develop new computational methods, and explore innovative techniques for creating effective and safe medications. The process can involve steps such as...

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Bibliographic Details
Main Authors: Nadeem Abad, Fares Hezam Al-Ostoot, Sajda Ashraf, Karim Chkirate, Majed S. Aljohani, Hussam Y. Alharbi, Shafeek Buhlak, Mohamed El Hafi, Luc Van Meervelt, Basheer M. Al-Maswari, El Mokhtar Essassi, Youssef Ramli
Format: Article
Language:English
Published: Elsevier 2023-11-01
Series:Heliyon
Subjects:
Triazolequinoxalin
Energy framework
Hirshfeld surface
Anti-cancer docking studies
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844023085201

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http://www.sciencedirect.com/science/article/pii/S2405844023085201

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