In vitro and in silico antiproliferative potential of isolated flavonoids constitutes from Pistacia integerrima

Author:

Rauf Abdur1ORCID,Rashid Umer2,Akram Zuneera3,Ghafoor Momina2,Muhammad Naveed4,Al Masoud Najla5,Alomar Taghrid S.5,Naz Saima6,Iriti Marcello78ORCID

Affiliation:

1. Department of Chemistry , University of Swabi , Anbar 23561 , Khyber Pakhtunkhwa , Pakistan

2. Department of Chemistry , COMSATS University Islamabad , Abbottabad Campus 22060 , Abbottabad , Pakistan

3. Department of Pharmacology, Faculty of Pharmaceutical Sciences , Baqai Medical University , Karachi , Pakistan

4. Department of Pharmacy , 208933 Abdul Wali Khan University Mardan , Khyber Pakhtunkhwa , Pakistan

5. Department of Chemistry, College of Science , Princess Nourah bint Abdulrahman University , Riyadh 11671 , Saudi Arabia

6. Department of Biotechnology , Bacha Khan University , Khyber Pakhtunkhwa , Pakistan

7. Department of Biomedical, Surgical and Dental Sciences , University of Milan , via Celoria 2, 20133 , Milan , Italy

8. National Interuniversity Consortium of Materials Science and Technology (INSTM) , Firenze 50121 , Italy

Abstract

Abstract Cancer is one of the most demanding domains for innovative, effective, safe, and affordable therapeutically active chemicals. The main aim of this study is to research new phytochemicals with anticancer activity. The current experiment identified and analyzed six compounds for anti-cancer potential supported by molecular simulation studies. The defatted methanolic extract underwent column chromatography, resulting in the isolation of six flavonoids. These include 3,5,7,4′-tetrahydroxy-flavanone (1), naringenin (2), 3,5,4′-trihydroxy-7-methoxy-flavanone (3), sakuranetin (4), spinacetin (5), and patuletin (6). The isolated compounds (1–6) were assessed for in vitro anti-cancer activity against various cell lines such as HepG2 (hepatoma G2), A498 (kidney), NCI-H226 (lungs), and MDR2780AD (human ovarian). The maximum antiproliferative effect was against HepG2 and MDR2780AD. When compounds 6, 5, and 1 were compared to a standard anti-cancer medicine (paclitaxel) with an IC50 of 7.32, it was shown that compounds 6, 5, and 1 exhibited significant activity against HepG2 with IC50 values of 14.65, 20.87, and 27.09 µM, respectively. All tested compounds showed an IC50 of less than 1 µM and had notable effects against MDR2780 AD cell lines. Compound 6 exhibited notable potency against the HepG2, A498, and MDR2780AD cell lines, among the six compounds that were evaluated. In contrast, compound 3 demonstrated the most pronounced impact on the NCI-H226 cell line. Docking investigations were performed using tubulin as the specific target concerning PDB ID 4O2B. The six compounds under investigation interact hydrophobically and hydrophilically with tubulin-binding site amino acid residues.

Funder

Princess Nourah bint Abdulrahman University Researchers Supporting Project

Publisher

Walter de Gruyter GmbH

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