التفاصيل البيبلوغرافية
| العنوان: |
Investigating the anti-cancer compounds from Calliandra harrisiifor precision medicine in pancreatic cancer via in-silicodrug design and GC-MS analysis |
| المؤلفون: |
Naveed, Muhammad, Ali, Imran, Aziz, Tariq, Javed, Khushbakht, Saleem, Ayesha, Hanif, Nimra, Alharbi, Metab |
| المصدر: |
Zeitschrift für Naturforschung C; July 2024, Vol. 79 Issue: 7-8 p209-220, 12p |
| مستخلص: |
Pancreatic cancer is a fatal illness caused by mutations in multiple genes. Pancreatic cancer damages the organ that helps in digestion, resulting in symptoms including fatigue, bloating, and nausea. The use of medicinal plants has been crucial in the treatment of numerous disorders. The medicinal plant Calliandra Harrisihas been widely exploited for its possibilities in biology and medicine. The current study aimed to assess the biopotential of biologically active substances against pancreatic cancer. The GC-MS data of these phytochemicals from Calliandra Harrisiwere further subjected to computational approaches with pancreatic cancer genes to evaluate their potential as therapeutic candidates. Molecular docking analysis revealed that N-[Carboxymethyl] maleamic acid is the leading molecule responsible for protein denaturation inhibition, having the highest binding affinity of 6.8 kJ/mol among all other compounds with KRASinflammatory proteins. Furthermore, ADMET analysis and Lipinski’s rule validation were also performed revealing its higher absorption in the gastrointestinal tract. The results of the hepatotoxicity test demonstrated that phytochemicals are non-toxic, safe to use, and do not cause necrosis, fibrosis, or vacuolar degeneration even at excessive levels. Calliandra Harrisihas phytoconstituents that have a variety of pharmacological uses in consideration. |
| قاعدة البيانات: |
Supplemental Index |
