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In-silico Interaction Studies Of Marine Organisms Metabolites With Drug Target SIRT1 Of Diabetic Kidney Disease
Chakresh Kumar Jain
2021 ; 2021(1):
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춘계학술대회 초록집
Objective: downlaoded the strcutrue of  drug target Sirtuin-1 (SIRT1) (PDB ID: 5BTR.pdb) from www.rcsb.org peptide sequence GFFALIPGIE of Pardaxin 1  released by red sea fish Pardachirus marmoratus  and Pardachirus pavoninus   to repel the sharks , has been downloaded from uniprot (https://www.uniprot.org/uniprot/P81863) The known antidiabetic peptide (LLPLPVLK) from soya protein has been taken as positive control The computational interaction ( blind docking  has been performed through online tool   HPEPDOCK server ( http://huanglab.phys.hust.edu.cn/hpepdock/.)   Methods: The  docking score : -185.66  of drug target -marine paptide Pardaxin 1  where as control ( soya peptide) docking score was -155.096  obtained from HPEPDOCK server which reflect that marine organisms anticancer peptide has better inerection /docking as compare to control ( soya protien) Results: The peptide pardaxin 1 ( anticancer peptide) produced in  red sea sole  which is a alpha-helical cationic peptide with , helix-hinge-helix structure has shown considerably better  docking score (-185.66  ) then soya protein on computational platform  and shown its dual role. Hence can be a potential lead for wet lab experimentation for further validations Conclusions: Objective: Diabetic Kidney Disease or Diabetic nephropathy (DN)  is very common,  poorly prognosed and found  approx. 20–40% in diabetic persons  and  one of the cause behind kidney failure leading the mortality Natural products like peptides often have lower side effect, less immunogenic and more stable   as compare to chemical drug molecules used in the treatment. we are investigating the potential use of  natural anti cancer peptide (GFFALIPGIE) of Pardaxin 1  obtained from red sea fish P. marmoratas and P. pavoninus  and its dual role as antidiabtic peptide in diabetic kidney diseases against sirtuin-1 (SIRT1) (PDB ID: 5BTR.pdb), a potential drug target for diabetic kidney disease  objective is to  explore the potential use of anticancer and antimicrobial  natural peptides derieved  from marine organisms towards diabetic kidney diseases through in-silico interection study Methods: downlaoded the strcutrue of  drug target Sirtuin-1 (SIRT1) (PDB ID: 5BTR.pdb) from www.rcsb.org peptide sequence GFFALIPGIE of Pardaxin 1  released by red sea fish Pardachirus marmoratus  and Pardachirus pavoninus   to repel the sharks , has been downloaded from uniprot (https://www.uniprot.org/uniprot/P81863) The known antidiabetic peptide (LLPLPVLK) from soya protein has been taken as positive control The computational interaction ( blind docking  has been performed through online tool   HPEPDOCK server ( http://huanglab.phys.hust.edu.cn/hpepdock/.)   Results: The  docking score : -185.66  of drug target -marine paptide Pardaxin 1  where as control ( soya peptide) docking score was -155.096  obtained from HPEPDOCK server which reflect that marine organisms anticancer peptide has better inerection /docking as compare to control ( soya protien) Conclusions: The peptide pardaxin 1 ( anticancer peptide) produced in  red sea sole  which is a alpha-helical cationic peptide with , helix-hinge-helix structure has shown considerably better  docking score (-185.66  ) then soya protein on computational platform  and shown its dual role. Hence can be a potential lead for wet lab experimentation for further validations
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