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Structural Stability of ADTC5 Peptide: Conformational Insights into Dynamics and Its Binding Mode Siahaan, Parsaoran; Prasasty, Vivitri Dewi; Simanjuntak, Bungaran David; Hildayani, Suci; Anam, Khairul
Journal of Tropical Life Science Vol 7, No 2 (2017)
Publisher : Journal of Tropical Life Science

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.11594/jtls.07.02.09

Abstract

The cyclic structure of ADTC5 (Ac-CDTPPVC-NH2) peptide is known has ability to modulate homo dimer E-cadherin interactions to form adherens junction at the intercellular junction.  The ability to inhibit E-cadherin interaction has become important to increase paracellular porosity in delivering drug molecules to the target cell. There are two types of ADTC5 state: opened-cyclic state (OCS) and closed-cyclic state (CCS). OCS of ADTC5 is affected by distance constraint and CCS is formed by disulfide bond from terminal cysteines through force restraint. The aim of this research is to investigate the inhibition activity of ADTC5 peptide upon E-cadherin. Here we used molecular docking and molecular dynamics approaches. The structure of ADTC5 peptide was generated by PyMOL program. GROMACS v4.5.5 was utilized to simulate molecular dynamics. The optimized ADTC5 molecule was placed in aqueous or polar condition at physiological pH. Furthermore, ADTC5 was docked with EC1-EC2 coupled domain of E-cadherin using AutoDock 4.2 and be refined using molecular dynamic (MD). The result showed that CCS ADTC5 peptide has stronger affinity and more stable interaction with EC1-EC2 coupled domain than the OCS one.
Co-Authors Abdul Kholiq Abdul Rozaq Achmad Rizal Adi Pramono, Mahasyin Adi Santoso Adi Susanto Adystia, Yusdike Ahmad Rofii Ahmad Zamsuri, Ahmad AHMADI, SOFYAN Ainur Rofiq Sofa Al-Maulidi, Asrorul Fuad Alfarezy, Alif Ali Rizal Chaidir Aliyan, Silmi Afina Amaanah, Annisa Amin Pujiati Amin, Moh. Hasan Shodiqil Amri, Faesal Anggraeni, Sofie Ankardiansyah Pandu Pradana Aozora Tawazun, Jaisyi Ardhiansyah, Dheny Dwi Ardian Syah, Khalif Ari Wahjudi ARIEF RIO MAULANA Arif Hana Sasono, Muchamad Aris Zainul Muttaqin Arizal Mujibtamala Nanda Imron Armila, Sely Asep Akmal Aonullah Asep Gana Suganda Aswan Aswan Aulia, Naila Azqiatul Ayu Purnamasari Azizah, Luluk Nur Azzahra, Salsabila Bahrul Ilmi, Muhammad Baihaki, Raihan Baijuri, Achmad Bambang Wahono Belfa, Muhammad Bhiaztika Ristyanadi Castellini, Claudio Chandra, Mahesa Prana Dahlia Dahlia Dedy Wahyu Herdiyanto Dewi Kusrini Dinar Mahdalena Leksana 1 Dodi Setiabudi Dwi Hudiyanti DWI SUSILANINGSIH EDI SAPUTRA Ekawati, Nuraini Elin Yulinah Sukandar Endah Puji Septisetyani, Endah Puji Endah Sih Prihatini Erna Hayati, Erna Fadlurahman, Muhammad Faisol Masud Faridah, Indah Fathiyyah, Kamiilah Fatkhul U, M. Miftah Fauziah, Fenty Febrian, Herlin Firdausyah, Nalurita Firdauzi, Annisa Fitri Wulandari Fitri, Zilvanhisna Emka Fitria Dina Riana GAMMA ADITYA RAHARDI Habibie, David Fuad Habriyanto Habriyanto Hadi, Vanesha Astri Hadiwijaya Louk, Michael Johannes Haerani, Ega Devana Hamdani Hamdani Hana Sasono, Muchamad Arif Handayani, Niknik Hanifah, Afnan Nur Hanik, Elya Umi Haq, Moh. Wazirul Hariyadi Hartati Wahyuningtyas, Agustina Shinta Hartini, Dina Harvianto, Yudo Harwati, Theresia Umi Hasan, Miftahul Hasyim Helnanelis, Helnanelis Herdhata Agusta Heri Heriyanto Hersugondo Hersugondo Hidayah, Intan Nur Hidayati, Nafisah Arina Hildayani, Suci Himawan, Alayna Lillahida Indri Ika Purnamasari Ike Fibriani Ilham, Syarif Muhammad Illahi, Rhochmad Wahyu Ilmi, M. Bahrul Irawandi, Hamzan Istianah Istianah Jalpi, Agus Jamiliya Susantin Jasminto Kahfi, Bung Ashabul Komang Alit Paramitasari Kuniaji, Ardana Kustanto, M Nurkoyim L Broto S Kardono Lindayani, Lindayani M. Rosidi Zamroni M. Ulul Albab Ma’arif, Mochammad Syamsul Mahmudah Mardhiyah, Chaira Nisaa Marlina Kamelia Mas'ud, Faisol Mas’ud, Faisol Mas’ud, Faisol MG Isworo Rukmi Miftahus Sholihin Moch. Syamsul Ma'arif Mochamad Edoward Ramadhan Mochamat, Mochamat Mohammad Syaffruddin Kuryanto Mubarok, Muhammad Aziz Nur Muhammad Ammar Muhammad Aniq Muhammad Hasjim Bintoro Djoefrie Hasjim Bintoro Djoefrie Muhammad Helmi Muhammad Wahyudi MUKHRODI, FAUZAN AWWAL Muntalim, Muntalim Nahar, Thohirotun Nahela, Safri Nanda Imron, Arizal Mujibtamala NEGARA, MOHAMMAD AGUNG PRAWIRA Neng Herawati, Neng Ningtyas, Rosidah Wahyu Norsita Agustina, Norsita Nova Nova Novriadi, Novriadi Novriyanti Lubis, Novriyanti Nurfadillah, Mursidah Nurhasanah, Zakia Pamungkas, Whilis Aziz Panji Pangeran, Khrisna Parman Komarudin Parmin - Parsaoran Siahaan Pitaloka, Ghea Redana Popi Hadi Wisnuwardhani, Popi Hadi Prabaswara, Ilham Prabhata, Wimzy Rizqy Pramesti Dewi Prasetyaningrum, Pekik Wiji Prastowo, Diko Prihantini, Campina Illa Prihatin, Endah Sih Purwanti, Defiya Putra, Aviq Nurdiansyah Putu Hadi Setyarini Rachmi Masnilah Rahmawati, Aisyah Muthiah rahmawati, meidina Rahmayanti, Mira Ramadani, Ratna Dwi Ramadhani, Khoirul Ramadhani, Mirza RATIH ASMANA NINGRUM Renitasari, Diana Putri Retno Sri Iswari Ridwan Sinurat Rika Dwi Hidayatul Qoryah Risa Wentasari Rizal, Naufal Ainur Rohana, Evieta Rosyadi, Imron - Royhanshah, Moch Freskha Fauzi RR. Ella Evrita Hestiandari Sabar Nurohman Sabrina, Nidia Fitri Salim, Taufik Ibnu Santoso Mulyadi Saputra, Eko Ikhwan Sasikirana, Widyandani Sasono, Muchamad Arif Hana SATRIYO, MOHAMAD BINAWAN Setiandari LO, Elsi Setyana, Sukma Febri Sidiq, Egi Nur Muhamad Simanjuntak, Bungaran David Siti Harnina Bintari Sonief, Achmad As’ad Sridanti, Irma Lisa Suci Wulandari Sudomo, Joko Sudradjat Sugiono Sugiono Suhendar Suhendar, Suhendar Suhendi, Endang Sulaiman, Akhmad Nurali Sulastri, Ai Sumardi Sumardi . Suryanto, Deny Suyoko, Ahmad Syarifudin, H.E. Sylvana Yaka Saputra TATANG HIDAYAT, TATANG Toliang, Ermina Tsania, Ayu Umam, Moch. Zuhrul Utami, Widyaningrum Uzma, Syafia Farihatul Vera Anitra Vivitri Dewi Prasasty Wahyu Muldayani Wahyuningsih Wahyuningsih Wardana, Muhammad Khristamto Aditya Widjonarko . Widya Cahyadi Wijaya, Temmy Yana Rubiyana, Yana Yanova, Muhammad Hendri Yanuandri Putrasari Yati Nurhayati Yenni, Heda Yohanes Adi Nugroho YOPI YOPI Yunarty Yunarty, Yunarty Zadzali, Helmi Zain, Diky Zehru