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To investigate the computational interactions and comparative binding of angiotensin converting enzyme (ACE) drug target of Diabetic Nephropathy and different plant peptides
Chakresh Kumar Jain
2020 ; 2020(1):
    Diabetic nephropathy | leguminous plant | ACE | defensins | docking
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춘계학술대회 초록집
To investigate the computational interactions and comparative binding of angiotensin converting enzyme (ACE) drug target of Diabetic Nephropathy and different plant peptides   Diabetic nephropathy (DN) is directly linked with diabetes and one of the leading cause to disrupt the function of kidney and finally its failure. it has been characterised by proteinuria (mostly albuminuria), elevated serum creatinine levels, and decreased eGFR. The management strategies  of DN is totally associated with renin-angiotensin-aldosterone system (RAAS) control.  Currently many angiotensin-converting enzyme (ACE) inhibitors i.e benazepril, captopril, fosinopril etc which exerts side effect like drowsiness,, weakness, headache, low bp, dizziness etc  Plant peptide are  cysteine-rich (defensins), natural and known to be used as a potential alternative  therapeutic agents. These peptides exhibits antimicrobial, antibacterial antioxidant and anti-proliferative effects 1. The structure of ACE has been downloaded from protein databank (www.pdb.org) with (pdb ID: 1O86) . 2. A total seven plant peptides having  antimicrobial  to anti carcinogenic properties and belonging to different classes  such as defensins, thionins, cyclotides etc. have been selected from (leguminous : Vigna sesquipedalis(KTCENLADTY), Phaseolus lunatus(KTCENLADTFRGPCFATSNC), Glycine max(SKWQHQQDSCRKQLQGVNLTPCEKHIMEKIQGRGDDDDDDDDD), Phaseolus vulgaris(ANDISFNFVRFNETNLILGG), Cicer arietinum (ARQSHFANAQP) non-leguminous : Viola arvensis(GLPVCGETCVGGTCNTPGCSCSWPVCTRN), Viola odorata(GIPCGESCVWIPCISSAIGCSCKSKVCYRN). 3. To study the computational interaction/docking  the  hpepdock server has been used which is based on blind protein-peptide docking and implemented on  hierarchical algorithm     The results reveal that antimicrobial peptides from  leguminous plants have shown higher binding affinity/docking  as compare to peptides from non-leguminous plants agaisnt drug target 1O86 Peptide from Chickpea (Cicer arietinum) of length (ARQSHFANAQP ) 11 amino acid has shown the highest affinity /docking  with -255.414   chick pea (leguminous plant)   has been found to demonstrate the better use with multiple properties such as antimicrobial and anti-cancerous as well as anti-diabetic and proved to be therapeutically important towards diabetic nephropathy, the experiment could be extended with MD simulation studies  
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