Synthesis and molecular docking studies of potent α-glucosidase inhibitors based on biscoumarin skeleton.
In our effort directed toward the discovery of new anti-diabetic agent for the treatment of diabetes, a library of biscoumarin derivative 1-18 was synthesized and evaluated for α-glucosidase inhibitory potential. All eighteen (18) compounds displayed assorted α-glucosidase activity with IC50 values 16.5-385.9 μM, if compared with the standard acarbose (IC50 = 906 ± 6.387 μM). In addition, molecular docking studies were carried out to explore the binding interactions of biscoumarin derivatives with the enzyme. This study has identified a new class of potent α-glucosidase inhibitors.
H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan. Electronic address: khalid.khan@iccs.edu.
Khalid Mohammed
KM
Khan
Department of Chemistry, Hazara University, Mansehra, Pakistan.
Fazal
F
Rahim
Computational Medicinal Chemistry Laboratory, Department of Biochemistry, Abdul Wali Khan University, Mardan, Mardan 23200, Pakistan.
Abdul
A
Wadood
Department of Chemistry, Hazara University, Mansehra, Pakistan.
Naveen
N
Kosar
Atta-ur-Rahman Institute for Natural Product Discovery, Universiti Teknologi MARA (UiTM), Puncak Alam Campus, 42300 Bandar Puncak Alam, Selangor, Malaysia; Faculty of Applied Science, Universiti Tecknologi MARA, 40450 Shah Alam, Selangor D.E., Malaysia.
Muhammad
M
Taha
H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.
Salima
S
Lalani
Department of Chemistry, Hazara University, Mansehra, Pakistan.
Aisha
A
Khan
H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.
Muhammad Imran
MI
Fakhri
Computational Medicinal Chemistry Laboratory, Department of Biochemistry, Abdul Wali Khan University, Mardan, Mardan 23200, Pakistan.
Muhammad
M
Junaid
Department of Chemistry, Hazara University, Mansehra, Pakistan.
Wajid
W
Rehman
Department of Chemistry, Abdul Wali Khan University, Mardan, Mardan 23200, Pakistan.
Momin
M
Khan
PCSIR Laboratories Complex, Karachi, Shahrah-e-Dr. Salimuzzaman Siddiqui, Karachi 75280, Pakistan.
Shahnaz
S
Perveen
Department of Biochemistry, Hazara University, Mansehra, Pakistan.
Muhammad
M
Sajid
H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.
M Iqbal
MI
Choudhary
D003374:Coumarins / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D018360:Crystallography, X-Ray; D004305:Dose-Response Relationship, Drug; D065089:Glycoside Hydrolase Inhibitors / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D062105:Molecular Docking Simulation; D015394:Molecular Structure; D013329:Structure-Activity Relationship; D000520:alpha-Glucosidases / Q000378:metabolism*
D003374:Coumarins; D065089:Glycoside Hydrolase Inhibitors; D000520:alpha-Glucosidases
Biscoumarin; Molecular docking; α-Glucosidase inhibition