title: Bioassay-Guided Isolation of Sesquiterpene Coumarins from Ferula narthex Bioss: A New Anticancer Agent.
abstract: The main objective of cancer management with chemotherapy (anticancer drugs) is to kill the neoplastic (cancerous) cell instead of a normal healthy cell. The bioassay-guided isolation of two new sesquiterpene coumarins (compounds 1 and 2) have been carried out from Ferula narthex collected from Chitral, locally known as "Raw." Anticancer activity of crude and all fractions have been carried out to prevent carcinogenesis by using MTT assay. The n-hexane fraction showed good activity with an IC50 value of 5.434 ± 0.249 μg/mL, followed by crude MeFn extract 7.317 ± 0.535 μg/mL, and CHCl3 fraction 9.613 ± 0.548 μg/mL. Compounds 1 and 2 were isolated from chloroform fraction. Among tested pure compounds, compound 1 showed good anticancer activity with IC50 value of 14.074 ± 0.414 μg/mL. PASS (Prediction of Activity Spectra) analysis of the compound 1 was carried out, in order to predicts their binding probability with anti-cancer target. As a results the compound 1 showed binding probability with human histone acetyltransferase with Pa (probability to be active) value of 0.303. The compound 1 was docked against human histone acetyltransferase (anti-cancer drug target) by using molecular docking simulations. Molecular docking results showed that compound 1 accommodate well in the anti-cancer drug target. Moreover the activity support cancer chemo preventive activity of different compounds isolated from the genus Ferula, in accordance with the previously reported anticancer activities of the genus.
authors.affiliation: Department of Pharmacy, Hazara University Dhodial, Pakistan.
authors.forename: Mahboob
authors.initials: M
authors.lastname: Alam
authors.affiliation: Department of Chemistry, COMSATS Institute of Information Technology Abbottabad, Pakistan.
authors.forename: Ajmal
authors.initials: A
authors.lastname: Khan
authors.affiliation: Department of Biochemistry, Abdul Wali Khan University-Mardan Mardan, Pakistan.
authors.forename: Abdul
authors.initials: A
authors.lastname: Wadood
authors.affiliation: Department of Chemistry, COMSATS Institute of Information Technology Abbottabad, Pakistan.
authors.forename: Ayesha
authors.initials: A
authors.lastname: Khan
authors.affiliation: Department of Pharmacy, University of Peshawar Peshawar, Pakistan.
authors.forename: Shumaila
authors.initials: S
authors.lastname: Bashir
authors.affiliation: Department of Pharmacy, Shaheed Benazir Bhutto University Sheringal Sheringal, Pakistan.
authors.forename: Akhtar
authors.initials: A
authors.lastname: Aman
authors.affiliation: Department of Pharmacy, Shaheed Benazir Bhutto University Sheringal Sheringal, Pakistan.
authors.forename: Abdul Khaliq
authors.initials: AK
authors.lastname: Jan
authors.affiliation: Centre for Phytomedicine and Medicinal Organic Chemistry, Institute of Chemical Sciences, University of Peshawar Peshawar, Pakistan.
authors.forename: Abdur
authors.initials: A
authors.lastname: Rauf
authors.affiliation: Centre of Biotechnology and Microbiology, University of Peshawar Khyber Pakhtunkhwa, Pakistan.
authors.forename: Bashir
authors.initials: B
authors.lastname: Ahmad
authors.affiliation: Department of Chemistry, COMSATS Institute of Information Technology Abbottabad, Pakistan.
authors.forename: Abdur Rahman
authors.initials: AR
authors.lastname: Khan
authors.affiliation: Department of Chemistry, COMSATS Institute of Information Technology Abbottabad, Pakistan.
authors.forename: Umar
authors.initials: U
authors.lastname: Farooq
keywords: Ferula narthex Bioss; Prediction of Activity Spectra; and molecular docking; anticancer potential; cytotoxic; human histone acetyltransferase; sesquiterpene coumarin