?url_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rft.title=STUDI+MOLECULAR+DOCKING%0D%0ASENYAWA+KOMPLEKS+Cr(III)-ASPARTAT+DAN%0D%0ACu(II)-ASPARTAT+TERHADAP+PROTEIN+1Z12%0D%0ASEBAGAI+ANTIDIABETES&rft.creator=ANNISA%2C++++EKA+YANTI&rft.subject=500+ilmu+pengetahuan+alam+dan+matematika&rft.subject=660+Teknik+kimia&rft.description=Diabetes+melitus+(DM)+merupakan+penyakit+kronis+degeneratif+yang+ditandai+dengan+peningkatan+kadar+gula+darah+puasa+%E2%89%A5126+mg%2Fdl.+Salah+satu+mikronutrien+yang+efektif+untuk+memperbaiki+kendali+glukosa+dan+mencegah+timbulnya+komplikasi+adalah+kromium.+Pada+penelitian+ini+dilakukan+molecular+docking+senyawa+Cr(III)Aspartat+dan+Cu(II)Aspartat+menggunakan+software+Plants.+Validasi+native+ligand+ion+vanadat+menunjukkan+hasil+RMSD+sebesar+1.5934+%C3%85+dengan+skor+docking+sebesar+-45.3166.+Docking+senyawa+Cr(III)Aspartat+dan+Cu(II)Aspartat+dengan+protein+1Z12+menunjukkan+skor+sebesar+-33.9434+dan+-53.4976+di+mana+skor+docking+Cu(II)Aspartat+lebih+negatif+dari+Cr(III)Aspartat.+Visualisasi+2+dimensi+Cr(III)Aspartat+menggunakan+software+Ligpot+memberikan+hasil+terdapat+6+asam+amino+yang+sama+dengan+native+ligand+yang+berikatan+pada+protein+1Z12+yaitu+Cys12%2C+Leu13%2C+Gly14%2C+Arg18%2C+Cys17+%2C+dan+Ile16.+Cu(II)Aspartat+memberikan+hasil+7+asam+amino+yang+sama+dengan+native+ligand+yang+berikatan+pada+protein+1Z12+yaitu+Cys12%2C+Arg18%2C+Leu13%2C+Gly14%2C+Cys17%2C+Ile16%2C+dan+Asn15.+Visualisasi+3+dimensi+Cu(II)Aspartat+menggunakan+software+Pymol+memberikan+informasi+panjang+ikatan+hidrogen+antara+N-O+pada+Cys17+sebesar+2.53+%C3%85%2C+sedangkan+Cr(III)Aspartat+sebesar+3.32+%C3%85+semakin+pendek+panjang+ikatan+yang+terjadi+menandakan+ikatan+yang+terbentuk+semakin+kuat.+Prediksi+toksisitas+dilakukan+menggunakan+Swissadme%2C+Preadmet%2C+dan+Protox%2C+pada+Swissadme+menunjukkan+kedua+senyawa+memenuhi+empat+dari+lima+kriteria+Lipinski%E2%80%99s+Rule+of+Five.+Hasil+pada+Preadmet+menunjukkan+Cu(II)Aspartat+memilki+nilai+absorpsi+sebesar+87.44%25+dan+Cr(III)Aspartat+sebesar+38.5+%25.+Uji+toksisitas+kedua+senyawa+pada+Protox+menunjukkan+sifat+inactive+terhadap+hepatotoxicity%2C+carcinogenicity%2C+immunotoxicity%2C+mutagenicity%2C+dan+cytotoxicity+yang+berarti+aman+digunakan.+Senyawa+Cr(III)Aspartat+dan+Cu(II)Aspartat+memiliki+sifat+farmakokinetika+yang+baik+dengan+skor+docking+Cu(II)Asparatat+yang+lebih+negatif+daripada+skor+docking+Cr(III)Aspartat+menunjukkan+Cu(II)Asparatat+lebih+potensial+sebagai+antidiabetes+daripada+Cr(III)Aspartat+secara+uji+in+silico.%0D%0AKata+kunci+%3A+Molecular+Docking%2C+Cr(III)Aspartat%2C+Cu(II)Aspartat%2C+antidiabetes.%0D%0A%0D%0ADiabetes+mellitus+(DM)+is+a+degenerative+chronic+disease+characterized+by+an+increase+in+fasting+blood+sugar+levels+%E2%89%A5126+mg%2Fdl.+One+of+the+effective+micronutrients+to+improve+glucose+control+and+prevent+complications+is+chromium.+In+this+research%2C+molecular+docking+of+Cr(III)Aspartate+and+Cu(II)Aspartate+compounds+was+carried+out+using+Plants+software.+Validation+of+the+native+ligand+vanadate+ion+showed+RMSD+result+of+1.5934+%C3%85+with+a+docking+score+of+-45.3166.+The+docking+of+Cr(III)Aspartate+and+Cu(II)Aspartate+compounds+with+1Z12+protein+showed+scores+of+-33.9434+and+-53.4976+where+the+docking+score+of+Cu(II)Aspartate+was+more+negative+than+Cr(III)Aspartate.+A+2-dimensional+visualization+of+Cr(III)Aspartate+using+Ligpot+software+gives+the+result+that+there+are+6+amino+acids+that+are+the+same+as+the+native+ligand+that+binds+to+the+1Z12+protein%2C+namely+Cys12%2C+Leu13%2C+Gly14%2C+Arg18%2C+Cys17%2C+and+Ile16.+Cu(II)Aspartate+yields+the+same+7+amino+acids+as+the+native+ligand+that+binds+to+the+1Z12+protein%2C+namely+Cys12%2C+Arg18%2C+Leu13%2C+Gly14%2C+Cys17%2C+Ile16%2C+and+Asn15.+The+3-dimensional+visualization+of+Cu(II)Aspartate+using+Pymol+software+provides+information+on+the+length+of+the+hydrogen+bond+between+N-O+in+Cys17+of+2.53+%C3%85%2C+while+for+Cr(III)Aspartate+of+3.32+%C3%85+the+shorter+the+bond+length%2C+the+stronger+the+bond+formed.+Toxicity+prediction+was+carried+out+using+Swissadme%2C+Preadmet%2C+and+Protox%2C+the+Swissadme+showed+that+the+two+compounds+met+four+of+the+five+Lipinski's+Rule+of+Five+criteria.+The+results+on+Predmet+showed+Cu(II)Aspartate+had+an+absorption+value+of+87.44%25+and+Cr(III)Aspartate+of+38.5%25.+The+toxicity+test+of+the+two+compounds+on+the+Protox+shows+that+they+are+inactive+towards+hepatotoxicity%2C+carcinogenicity%2C+immunotoxicity%2C+mutagenicity%2C+and+cytotoxicity+which+means+they+are+safe+to+use.+The+Cr(III)Aspartate+and+Cu(II)Aspartate+compounds+have+good+pharmacokinetic+properties+with+a+more+negative+Cu(II)Aspartate+docking+score+than+Cr(III)Aspartate+docking+score+indicating+Cu(II)Asparatate+is+more+potent+as+an+antidiabetic+than+Cr(III)Aspartate+by+in+silico+test.%0D%0AKeywords+%3A+Molecular+Docking%2C+Cr(III)Aspartate%2C+Cu(II)Aspartate%2C+antidiabetic.&rft.publisher=FAKULTAS+MATEMATIKA+DAN+ILMU+PENGETAHUAN+ALAM+&rft.date=2023-04-18&rft.type=Skripsi&rft.type=NonPeerReviewed&rft.format=text&rft.identifier=http%3A%2F%2Fdigilib.unila.ac.id%2F71613%2F1%2FABSTRAK.pdf&rft.format=text&rft.identifier=http%3A%2F%2Fdigilib.unila.ac.id%2F71613%2F2%2FSKRIPSI%2520FULL.pdf&rft.format=text&rft.identifier=http%3A%2F%2Fdigilib.unila.ac.id%2F71613%2F3%2FSKRIPSI%2520TANPA%2520BAB%2520PEMBAHASAN.pdf&rft.identifier=++ANNISA%2C+EKA+YANTI++(2023)+STUDI+MOLECULAR+DOCKING+SENYAWA+KOMPLEKS+Cr(III)-ASPARTAT+DAN+Cu(II)-ASPARTAT+TERHADAP+PROTEIN+1Z12+SEBAGAI+ANTIDIABETES.++FAKULTAS+MATEMATIKA+DAN+ILMU+PENGETAHUAN+ALAM+%2C+UNIVERSITAS+LAMPUNG.+++++&rft.relation=http%3A%2F%2Fdigilib.unila.ac.id%2F71613%2F