Exploring diabetics II inhibitors based on benzodioxin derivatives, structure activity relationship, molecular docking and ADME property study

被引：2

作者：

Al-Abdulbaqi, Maryam Ali ^{[1
,2
]}

Taha, Muhammad ^{[2
]}

Rahim, Fazal ^{[3
]}

Uddin, Imad ^{[4
]}

Uddin, Nizam ^{[5
]}

Wadood, Abdul ^{[6
]}

Haq, Sana ^{[7
]}

Iqbal, Naveed ^{[8
]}

Khan, Khalid Mohammed ^{[9
]}

Shah, Syed Adnan Ali ^{[10
,11
]}

Ali, Muhammad ^{[12
]}

机构：

[1] King Abdulaziz & His Compan Fdn Giftedness & Creat, Mawhiba Res Enrichment Program 2021, Riyadh, Saudi Arabia

[2] Imam Abdulrahman Bin Faisal Univ, Inst Res & Med Consultat IRMC, Dept Clin Pharm, POB 1982, Dammam 31441, Saudi Arabia

[3] Hazara Univ, Dept Chem, Mansehra 21300, Khyber Pakhtunk, Pakistan

[4] Univ Haripur, Dept Chem, Haripur 22620, Khyber Pakhtunk, Pakistan

[5] Univ Karachi, Dept Chem, Karachi, Pakistan

[6] Abdul Wali Khan Univ Mardan, Dept Biochem, Mardan 23200, Pakistan

[7] Sardar Begum Dent Coll, Peshawar, Pakistan

[8] Univ Poonch, Dept Chem, Rawalakot, AJK, Pakistan

[9] Univ Karachi, H E J Res Inst Chem, Int Ctr Chem & Biol Sci, Karachi 75270, Pakistan

[10] Univ Teknol MARA Cawangan Selangor, Fac Pharm, Kampus Puncak Alam, Puncak Alam 42300, Selangor, Malaysia

[11] Univ Teknol MARA Cawangan Selangor, Atta ur Rahman Inst Nat Prod Discovery AuRIns, Kampus Puncak Alam, Bandar Puncak Alam 42300, Selangor, Malaysia

[12] Islamia Univ Bahawalpur, Inst Chem, Bahawalpur 63100, Pakistan

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2024年 / 1306卷

关键词：

A-amylase; A; -glucosidase; Diabetics II inhibitor; In silico study; ADME property; IN-VITRO EVALUATION; ALPHA-GLUCOSIDASE;

D O I：

10.1016/j.molstruc.2024.137797

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Enzyme inhibition is one of the main target for drug development against diabetes mellitus. In this regard we have conducted the synthesis of 1,4-benzodioxin bases Schiff bases (1-25). The alpha-amylase activities of these compounds (1-25) found in the range of 0.60 +/- 0.01 to 19.80 +/- 0.40 mu M when compared with standard acarbose (12.80 +/- 0.10 mu M). The alpha-glucosidase activity ranging from IC50 = 0.80 +/- 0.01 mu M to IC50 = 27.60 +/- 0.60 mu M when compared with standard acarbose (IC50 = 12.90 +/- 0.10 mu M). The structure-activity relationship (SAR) has established for all compounds. The SAR suggest that compounds containing hydroxyl and halogens are active against both enzymes. The molecular docking study was carried out to find the interaction of active compounds with enzymes. Furthermore, ADME property study is also conducted.

引用

页数：10

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