Volume 8, Issue 4 (2022)
Pharm Biomed Res 2022, 8(4): 237-258 |
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Kehinde O A, Damilare B I, Ogunlana A, Mojeed Ayoola A, Opeyemi Emmanuel A, Temitope Isaac A. Inhibitors of α-glucosidase and Angiotensin-converting Enzyme in the Treatment of Type 2 Diabetes and its Complications: A Review on in Silico Approach. Pharm Biomed Res 2022; 8 (4) :237-258
URL: http://pbr.mazums.ac.ir/article-1-453-en.html
URL: http://pbr.mazums.ac.ir/article-1-453-en.html
Oyedele Abdul-Quddus Kehinde1 
, Boyenle Ibrahim Damilare1 , AbdeenTunde Ogunlana1 , Ashiru Mojeed Ayoola2 , Atanda Opeyemi Emmanuel1 , Adelusi Temitope Isaac * 1
, Boyenle Ibrahim Damilare1 , AbdeenTunde Ogunlana1 , Ashiru Mojeed Ayoola2 , Atanda Opeyemi Emmanuel1 , Adelusi Temitope Isaac * 1
1- Department of Biochemistry, Faculty of Basic Medical Sciences, Ladoke Akintola University of Technology, Ogbomoso, Nigeria.
2- Department of Chemical Sciences, College of Natural and Applied Science, Fountain University, Osogbo, Nigeria.
2- Department of Chemical Sciences, College of Natural and Applied Science, Fountain University, Osogbo, Nigeria.
Abstract: (1576 Views)
Background: The use of pharmacological agents to synergistically target key enzymes associated with carbohydrate digestion (α-glucosidase) and the hypertension-related angiotensin-converting enzyme (ACE) are critical strategies for the management of type 2 diabetes (T2D) and its end-stage complications. Furthermore, aside from their blood pressure-lowering effect, ACE inhibitors (ACEIs) are important therapeutic agents for preventing diabetic complications, highlighting their synergistic renoprotective and antihypertensive effects in diabetic patients who are normotensive and hypertensive.
Objectives: We reviewed the safety and potent activity of phytochemicals discovered based on molecular docking and dynamics in recent years that could be used to treat T2D.
Methods: We surveyed recently in silico drug discovery findings on α-glucosidase and ACE retrieved from the PubMed database. Computational in silico ADMET meta-analysis was performed on 57 compounds that could potentially inhibit α-glucosidase or ACE.
Results: The review highlighted the fact that most hit compounds of α-glucosidase and ACE involving the use of molecular docking and molecular dynamics techniques are competitive and peptide inhibitors, respectively. Moreover, we found that most authors do not consider absorption distribution metabolism excretion toxicity (ADMET) studies on drug candidates, which is important in determining the safety profile of potent leads. Hence, we performed in silico ADMET meta-analysis of the reported compounds and found some inhibitors with an excellent pharmacological profile.
Conclusion: We propose that further studies be conducted on these promising leads to demonstrate their efficacy and safety in the treatment of T2D.
Objectives: We reviewed the safety and potent activity of phytochemicals discovered based on molecular docking and dynamics in recent years that could be used to treat T2D.
Methods: We surveyed recently in silico drug discovery findings on α-glucosidase and ACE retrieved from the PubMed database. Computational in silico ADMET meta-analysis was performed on 57 compounds that could potentially inhibit α-glucosidase or ACE.
Results: The review highlighted the fact that most hit compounds of α-glucosidase and ACE involving the use of molecular docking and molecular dynamics techniques are competitive and peptide inhibitors, respectively. Moreover, we found that most authors do not consider absorption distribution metabolism excretion toxicity (ADMET) studies on drug candidates, which is important in determining the safety profile of potent leads. Hence, we performed in silico ADMET meta-analysis of the reported compounds and found some inhibitors with an excellent pharmacological profile.
Conclusion: We propose that further studies be conducted on these promising leads to demonstrate their efficacy and safety in the treatment of T2D.
Keywords: α-glucosidase, Angiotensin-converting enzyme, In silico drug discovery, Pharmacological activity, ADMET
Type of Study: Review article |
Subject:
Mollecular Modeling
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