Synthesis and molecular docking studies of potent α-glucosidase inhibitors based on biscoumarin skeleton

Khalid Mohammed Khan; Fazal Rahim; Abdul Wadood; Naveen Kosar; Muhammad Taha; Salima Lalani; Aisha Khan; Muhammad Imran Fakhri; Muhammad Junaid; Wajid Rehman; Momin Khan; Shahnaz Perveen; Muhammad Sajid; M. Iqbal Choudhary

doi:10.1016/j.ejmech.2014.05.010

Synthesis and molecular docking studies of potent α-glucosidase inhibitors based on biscoumarin skeleton

Khalid Mohammed Khan^*
, Fazal Rahim
, Abdul Wadood
, Naveen Kosar
, Muhammad Taha
, Salima Lalani
, Aisha Khan
, Muhammad Imran Fakhri
, Muhammad Junaid
, Wajid Rehman
, Momin Khan
, Shahnaz Perveen
, Muhammad Sajid
, M. Iqbal Choudhary

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

159 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	245-252
Number of pages	8
Journal	European Journal of Medicinal Chemistry
Volume	81
DOIs	https://doi.org/10.1016/j.ejmech.2014.05.010
State	Published - 23 Jun 2014
Externally published	Yes

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 3 Good Health and Well-being

Keywords

Biscoumarin
Molecular docking
α-Glucosidase inhibition

ASJC Scopus subject areas

Pharmacology
Drug Discovery
Organic Chemistry

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10.1016/j.ejmech.2014.05.010

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Khan, K. M., Rahim, F., Wadood, A., Kosar, N., Taha, M., Lalani, S., Khan, A., Fakhri, M. I., Junaid, M., Rehman, W., Khan, M., Perveen, S., Sajid, M., & Choudhary, M. I. (2014). Synthesis and molecular docking studies of potent α-glucosidase inhibitors based on biscoumarin skeleton. European Journal of Medicinal Chemistry, 81, 245-252. https://doi.org/10.1016/j.ejmech.2014.05.010

@article{dfeb4e1ed8494b4b8f2460c579707e73,

title = "Synthesis and molecular docking studies of potent α-glucosidase inhibitors based on biscoumarin skeleton",

abstract = "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.",

keywords = "Biscoumarin, Molecular docking, α-Glucosidase inhibition",

author = "Khan, \{Khalid Mohammed\} and Fazal Rahim and Abdul Wadood and Naveen Kosar and Muhammad Taha and Salima Lalani and Aisha Khan and Fakhri, \{Muhammad Imran\} and Muhammad Junaid and Wajid Rehman and Momin Khan and Shahnaz Perveen and Muhammad Sajid and Choudhary, \{M. Iqbal\}",

year = "2014",

month = jun,

day = "23",

doi = "10.1016/j.ejmech.2014.05.010",

language = "English",

volume = "81",

pages = "245--252",

}

Khan, KM, Rahim, F, Wadood, A, Kosar, N, Taha, M, Lalani, S, Khan, A, Fakhri, MI, Junaid, M, Rehman, W, Khan, M, Perveen, S, Sajid, M & Choudhary, MI 2014, 'Synthesis and molecular docking studies of potent α-glucosidase inhibitors based on biscoumarin skeleton', European Journal of Medicinal Chemistry, vol. 81, pp. 245-252. https://doi.org/10.1016/j.ejmech.2014.05.010

TY - JOUR

T1 - Synthesis and molecular docking studies of potent α-glucosidase inhibitors based on biscoumarin skeleton

AU - Khan, Khalid Mohammed

AU - Rahim, Fazal

AU - Wadood, Abdul

AU - Kosar, Naveen

AU - Taha, Muhammad

AU - Lalani, Salima

AU - Khan, Aisha

AU - Fakhri, Muhammad Imran

AU - Junaid, Muhammad

AU - Rehman, Wajid

AU - Khan, Momin

AU - Perveen, Shahnaz

AU - Sajid, Muhammad

AU - Choudhary, M. Iqbal

PY - 2014/6/23

Y1 - 2014/6/23

N2 - 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.

AB - 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.

KW - Biscoumarin

KW - Molecular docking

KW - α-Glucosidase inhibition

UR - https://www.scopus.com/pages/publications/84901047505

U2 - 10.1016/j.ejmech.2014.05.010

DO - 10.1016/j.ejmech.2014.05.010

M3 - Article

C2 - 24844449

AN - SCOPUS:84901047505

SN - 0223-5234

VL - 81

SP - 245

EP - 252

JO - European Journal of Medicinal Chemistry

JF - European Journal of Medicinal Chemistry

ER -

Synthesis and molecular docking studies of potent α-glucosidase inhibitors based on biscoumarin skeleton

Abstract

UN SDGs

Keywords

ASJC Scopus subject areas

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