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All Journal Jurnal Teknologi Perikanan dan Kelautan Jurnal Pangan dan Gizi Journal of Tropical Life Science : International Journal of Theoretical, Experimental, and Applied Life Sciences JURNAL KIMIA SAINS DAN APLIKASI Interaksi Online Microbiology Indonesia Biota: Jurnal Ilmiah Ilmu-Ilmu Hayati Pro-Life Jurnal Profesi Medika: Jurnal Kedokteran dan Kesehatan Jurnal Kimia Terapan Indonesia Indonesian Journal of Chemistry MITRA: Jurnal Pemberdayaan Masyarakat Warta Ikatan Sarjana Komunikasi Indonesia Journal of Tropical Biodiversity Jurnal Informasi Pengabdian Masyarakat Journal of Communication Studies and Society Jurnal Pengabdian Kepada Masyarakat
Vivitri Dewi Prasasty
Faculty Of Biotechnology, Atma Jaya Catholic University Of Indonesia
Religion Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Decision Sciences, Operations Research & Management Economics, Econometrics & Finance Education Engineering Environmental Science Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Library & Information Science Materials Science & Nanotechnology Medicine & Pharmacology Public Health Social Sciences

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Journal : JURNAL KIMIA SAINS DAN APLIKASI

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Interaction Studies Between Cyclic Peptide ADT-C3 (Ac-CADTPC-NH2) with E-Cadherin Protein using the Molecular Docking Method Simulated on 120ns Parsaoran Siahaan; Vivitri Dewi Prasasty; Atiatul Manna; Dwi Hudiyanti
Jurnal Kimia Sains dan Aplikasi Vol 21, No 2 (2018): Volume 21 Issue 2 Year 2018
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (744.917 KB) | DOI: 10.14710/jksa.21.2.85-91

Abstract

The treatment of diseases that attack the brain is very difficult, because the delivery of drug molecules to the brain is often hindered by the blood-brain barrier (BBB). So that the drug delivery is not right on the target cell. Thus, was developed a method in modulation of intercellular junctions using ADTC3 cadherin peptide, Where the cadherin peptide is derived from the cadherin sequence itself. The method used in this research is molecular dynamics (DM) and molecular docking. In this study have been evaluated some peptide conformation in modulating intercellular junction. The results show that cyclic peptide ADT-C3 (Ac-CADTPC-NH2) was conducted DM for 120 ns (120000 ps), which has considerable activity in modulating intercellular junctions with binding energies of -33.10 kJ.mol-1 and Ki of 1.58 μM at the 79187 ps conformation. The binding site on residues Asp1, Trp2, Ile4, Lys25, Ser26, Asn27, Met92 in the adhesion arm-acceptor pocket region.
Co-Authors A.A. Ketut Agung Cahyawan W ADI YULANDI Albert Deniel Sitorus Alfonsus Samuel Satya Pradipta Anam, M. Khairul Anastasia Tatik Hartanti Atiatul Manna Aziz, Husna Abdul Berliana, Ester Bryant Adelar Bungaran David Simanjuntak Camin, Yeremiah Rubin David Tandjung Desak Putu Oki Lestari Dinar Kadarsih DR Sunarto Dwi Hudiyanti Enade Perdana Istyastono Enade Perdana Istyastono Ernawati Sinaga Fatmawaty Fatmawaty Febriani, Amadhea Zahra Firyal Nailah Khansa Gian Primahana Gracia Halim Hapsari Dwiningtyas Hildayani, Suci Jason Wiranata Sanjaya Jeremy Oktavian Kartika Sari Khairul Anam Linar Zalinar Udin Linar Zalinar Udin, Linar Zalinar Lumbantoruan, Lamtiur M Bayu Widagdo Mario Gunadi Marthin, Jeffrey Meda Canti Mira Adita Widianti Muhammad Hanafi Muhammad Hanafi Muhammad Iqbal Aulia Noverita Novitasari Novitasari Nur’aida, Tasya Parsaoran Siahaan Pradhana, Yudha Primahana, Gian Putra, Ariandi Qonitah, Tsabitah Athifah Ragamustari, Safendrri K Ramadhan, Muhammad Alfahrezi Baihaqi Rianita Pramitasari Roihandro, Mohammad Daffa Rory Anthony Hutagalung Rosmalena Rosmalena Rosmalena Rosmalena Rosmalena, Rosmalena Septi Panca Sakti Simanjuntak, Bungaran David Simanjuntak, Kristina Siti Nurbaya Soewono, Arka Dwinanda Suci Hildayani Tati Barus Vinella Winata Vinvin Vinvin Wicaksono, Wisnu Adi Widianti, Mira Adita Widyah Widyah Widyah, Widyah Wisnu Adi Wicaksono Yudhi Nugraha Zulfa, Astri