Studies on Photophysical and Biological Activity of Newly Synthesized of 4-Methylpiperidin-4-ol Substituted Pyrazole Derivatives

被引:2
作者
Al-Hazmi, Ghaferah H. [1 ]
Marrakkur, Vidyagayatri [2 ]
Naik, Lohit [3 ]
Refat, Moamen S. [4 ]
机构
[1] Princess Nourah bint Abdulrahman Univ, Coll Sci, Dept Chem, POB 84428, Riyadh 11671, Saudi Arabia
[2] NMKRV Coll Women, Dept Chem, Bengaluru 560006, India
[3] CHRIST, Dept Phys & Elect, Bengaluru 560029, India
[4] Taif Univ, Coll Sci, Dept Chem, POB 11099, Taif 21944, Saudi Arabia
来源
POLISH JOURNAL OF ENVIRONMENTAL STUDIES | 2024年 / 33卷 / 05期
关键词
Pyrazoles; in-vitro and in-silico biological activity; HOMO-LUMO; GCRD parameters;
D O I
10.15244/pjoes/183707
中图分类号
X [环境科学、安全科学];
学科分类号
08 ; 0830 ;
摘要
The in vitro antifungal, antibacterial, and antioxidant activities of a substituted pyrazole derivative (FHM) have been evaluated in the current work. The addition of 4-methylpiperidin-4-ol, which increases the molecule's lipid solubility and speeds up absorption by increasing its rate of absorption, gives the molecule strong in vitro antifungal and antibacterial properties. Additionally, it is clear from the findings of structure-activity relationship (SAR) investigations. Additionally, the ab-intio technique was used to theoretically evaluate the photophysical characteristics of produced substances. Using the DFT-B3LYP-6-31G(d) basis set, the ground state optimization and HOMO-LUMO energy levels are computed. Global chemical reactivity and descriptive characteristics are evaluated using theoretically estimated HOMO-LUMO values, and the results demonstrate that the synthesized molecule possesses a high electrophilicity and electronegative index. Overall findings indicate that substituting a 4-methylpiperidin-4-ol substituted pyrazole derivative shows good photophysical and in vitro biological applications.
引用
收藏
页码:5557 / 5565
页数:10
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