NMR, Novel Pharmacological and In Silico Docking Studies of Oxyacanthine and Tetrandrine: Bisbenzylisoquinoline Alkaloids Isolated from Berberis glaucocarpa Roots
Urease enzyme is responsible for gastric cancer, peptic ulcer, hepatic coma, and urinary stones in millions of people across the world. So, there is a strong need to develop new and safe antiurease drugs, particularly from natural sources. In search for new and effective drugs from natural sources b...
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| Format: | Article |
| Language: | English |
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Wiley
2018-01-01
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| Series: | Journal of Analytical Methods in Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2018/7692913 |
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| author | Muhammad Alamzeb Muhammad Omer Mamoon Ur-Rashid Muslim Raza Saqib Ali Behramand Khan Asad Ullah |
| author_facet | Muhammad Alamzeb Muhammad Omer Mamoon Ur-Rashid Muslim Raza Saqib Ali Behramand Khan Asad Ullah |
| author_sort | Muhammad Alamzeb |
| collection | DOAJ |
| description | Urease enzyme is responsible for gastric cancer, peptic ulcer, hepatic coma, and urinary stones in millions of people across the world. So, there is a strong need to develop new and safe antiurease drugs, particularly from natural sources. In search for new and effective drugs from natural sources bioassay-guided fractionation and isolation of Berberis glaucocarpa Stapf roots bark resulted in the isolation and characterization, on the basis of 1D and 2D NMR data, of two bisbenzylisoquinoline alkaloids, oxyacanthine (1) and tetrandrine (2), followed by urease inhibition studies. Crude extract, all the subfractions and the isolated compounds 1 and 2 displayed excellent urease enzyme inhibition properties in vitro. The antiurease nature and possible mode of action for compounds 1 and 2 were verified and explained through their molecular docking studies against jack-bean urease enzyme. Half-maximum inhibitory concentration (IC50) was calculated for compounds 1 and 2. The IC50 value was found to be 6.35 and 5.51 µg/mL for compounds 1 and 2, respectively. Both compounds 1 and 2 have minimal cytotoxicity against THP-1 monocytic cells. |
| format | Article |
| id | doaj-art-e6a6c4ee1e9a4a07abe7ac44773669c4 |
| institution | Kabale University |
| issn | 2090-8865 2090-8873 |
| language | English |
| publishDate | 2018-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Analytical Methods in Chemistry |
| spelling | doaj-art-e6a6c4ee1e9a4a07abe7ac44773669c42025-02-03T01:23:40ZengWileyJournal of Analytical Methods in Chemistry2090-88652090-88732018-01-01201810.1155/2018/76929137692913NMR, Novel Pharmacological and In Silico Docking Studies of Oxyacanthine and Tetrandrine: Bisbenzylisoquinoline Alkaloids Isolated from Berberis glaucocarpa RootsMuhammad Alamzeb0Muhammad Omer1Mamoon Ur-Rashid2Muslim Raza3Saqib Ali4Behramand Khan5Asad Ullah6Faculty of Sciences, Department of Chemistry, University of Kotli, Kotli 11100, Azad Jammu and Kashmir, PakistanInstitute of Chemical Sciences, University of Swat, Swat 19201, PakistanDepartment of Chemistry, Baluchistan University of Information Technology, Engineering and Management Sciences (BUITEMS), Takatu Campus, Quetta 87100, PakistanState Key Laboratory of Chemical Resource Engineering, College of Life Science and Technology, Beijing University of Chemical Technology, Beijing, ChinaFaculty of Sciences, Department of Chemistry, University of Kotli, Kotli 11100, Azad Jammu and Kashmir, PakistanDepartment of Chemistry, Islamia College University, Peshawar 25000, Khyber Pakhtunkhwa, PakistanDepartment of Chemistry, Islamia College University, Peshawar 25000, Khyber Pakhtunkhwa, PakistanUrease enzyme is responsible for gastric cancer, peptic ulcer, hepatic coma, and urinary stones in millions of people across the world. So, there is a strong need to develop new and safe antiurease drugs, particularly from natural sources. In search for new and effective drugs from natural sources bioassay-guided fractionation and isolation of Berberis glaucocarpa Stapf roots bark resulted in the isolation and characterization, on the basis of 1D and 2D NMR data, of two bisbenzylisoquinoline alkaloids, oxyacanthine (1) and tetrandrine (2), followed by urease inhibition studies. Crude extract, all the subfractions and the isolated compounds 1 and 2 displayed excellent urease enzyme inhibition properties in vitro. The antiurease nature and possible mode of action for compounds 1 and 2 were verified and explained through their molecular docking studies against jack-bean urease enzyme. Half-maximum inhibitory concentration (IC50) was calculated for compounds 1 and 2. The IC50 value was found to be 6.35 and 5.51 µg/mL for compounds 1 and 2, respectively. Both compounds 1 and 2 have minimal cytotoxicity against THP-1 monocytic cells.http://dx.doi.org/10.1155/2018/7692913 |
| spellingShingle | Muhammad Alamzeb Muhammad Omer Mamoon Ur-Rashid Muslim Raza Saqib Ali Behramand Khan Asad Ullah NMR, Novel Pharmacological and In Silico Docking Studies of Oxyacanthine and Tetrandrine: Bisbenzylisoquinoline Alkaloids Isolated from Berberis glaucocarpa Roots Journal of Analytical Methods in Chemistry |
| title | NMR, Novel Pharmacological and In Silico Docking Studies of Oxyacanthine and Tetrandrine: Bisbenzylisoquinoline Alkaloids Isolated from Berberis glaucocarpa Roots |
| title_full | NMR, Novel Pharmacological and In Silico Docking Studies of Oxyacanthine and Tetrandrine: Bisbenzylisoquinoline Alkaloids Isolated from Berberis glaucocarpa Roots |
| title_fullStr | NMR, Novel Pharmacological and In Silico Docking Studies of Oxyacanthine and Tetrandrine: Bisbenzylisoquinoline Alkaloids Isolated from Berberis glaucocarpa Roots |
| title_full_unstemmed | NMR, Novel Pharmacological and In Silico Docking Studies of Oxyacanthine and Tetrandrine: Bisbenzylisoquinoline Alkaloids Isolated from Berberis glaucocarpa Roots |
| title_short | NMR, Novel Pharmacological and In Silico Docking Studies of Oxyacanthine and Tetrandrine: Bisbenzylisoquinoline Alkaloids Isolated from Berberis glaucocarpa Roots |
| title_sort | nmr novel pharmacological and in silico docking studies of oxyacanthine and tetrandrine bisbenzylisoquinoline alkaloids isolated from berberis glaucocarpa roots |
| url | http://dx.doi.org/10.1155/2018/7692913 |
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