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All Journal Jurnal Teknologi Dan Industri Pangan Journal of Food and Pharmaceutical Science Sainteks Techno (Jurnal Fakultas Teknik, Universitas Muhammadiyah Purwokerto) Proceeding Seminar LPPM UMP Tahun 2014 Majalah Ilmiah MOMENTUM JURNAL PHARMASCIENCE Majalah Obat Tradisional PROSIDING SENATEK FAKULTAS TEKNIK UMP Pharmascience JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Jurnal Aplikasi Teknologi Pangan JRST (Jurnal Riset Sains dan Teknologi) Indonesian Food and Nutrition Progress PHARMACY: Jurnal Farmasi Indonesia (Pharmaceutical Journal of Indonesia) JPPM (Jurnal Pengabdian dan Pemberdayaan Masyarakat) Advances in Food Science, Sustainable Agriculture and Agroindustrial Engineering (AFSSAAE) Abdimas UNWAHAS : Jurnal Pengabdian Masyarakat UNWAHAS Jurnal Inovasi Teknik Kimia Journal of Applied Science, Engineering, Technology, and Education Mattawang: Jurnal Pengabdian Masyarakat Jurnal Ilmiah Ibnu Sina (JIIS): Ilmu Farmasi dan Kesehatan Journal of Chemical Process and Material Technology Techno Research In Chemical Engineering Jurnal Pengabdian kepada Masyarakat (ABDIKEMAS) Molekul: Jurnal Ilmiah Kimia Media Farmasi Jurnal Tumbuhan Obat Indonesia Jurnal Kefarmasian Indonesia Indonesian Journal of Jamu
Alwani Hamad
Department Of Chemical Engineering, Faculty Of Engineering And Science, Universitas Muhammadiyah Purwokerto
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Journal : Pharmascience

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Hubungan Kuantitatif Struktur-Aktifitas dan Doking Molekular Senyawa Meso-Tetraphenylporphyrin dan Meso-Tetraphenylchlorin sebagai Fotosensitizer untuk Terapi Fotodinamik Asmiyenti Djaliasrin Djalil; Nurul Fadhilah Deni Saputri; Suparman Suparman; Alwani Hamad
Jurnal Pharmascience Vol 3, No 1 (2016): Jurnal Pharmascience
Publisher : Program Studi Farmasi FMIPA Universitas Lambung Mangkurat

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20527/jps.v3i1.5831

Abstract

ABSTRAK Terapi fotodinamik (Photodynamic Therapy/PDT) merupakan metode alternatif pengobatan kanker yang selektif. Terapi ini memerlukan fotosensitizer yang diberi penyinaran dalam lingkungan oksigen sehingga dihasilkan oksigen singlet yang mampu menghancurkan sel kanker dan merusak jaringan. Meso-tetraphenylchlorin (MTPP) dan meso-tetraphenylporphyrin (MTPC) adalah fotosensitizer yang memiliki struktur molekul yang mirip, hanya berbeda kejenuhan pada satu cincin pirolnya. MTPP adalah tetrapirol makrosiklik dengan cincin pirol tidak tereduksi sedangkan struktur MTPC tereduksi pada salah satu cincin pirolnya. Penelitian ini bertujuan untuk memprediksi hubungan antara struktur tetrapirol makrosiklik terhadap aktivitasnya secara in silico. Analisis hubungan kuantitatif-struktur aktifitas (HKSA) menggunakan serangkaian senyawa turunan porfirin dilakukan untuk memperoleh persamaan yang secara statistik memiliki kemampuan korelatif dan prediktif. Perangkat lunak Molecular Operating Environment (MOE) digunakan untuk melakukan analisis HKSA. Doking molekul dilakukan terhadap human serum albumine (HSA) dan  peripheral benzodiazepine receptor (PBR) untuk memperoleh energi doking yang berhubungan dengan energi afinitas antara ligan dan reseptor. Simulasi doking dilakukan dengan menggunakan perangkat lunak AutoDock. Hasil menunjukkan bahwa MTPC memiliki energi doking terhadap HSA dan PBR yang paling baik. Analisis HKSA yang diperoleh  menunjukkan bahwa MTPC lebih potensial sebagai fotosensitizer yang ditunjukkan dengan nilai IC50 yang lebih kecil.  Kata kunci: doking molekular, fotosensitizer, HKSA, MTPC, MTPP, PDT ABSTRACTPhotodynamic Therapy (PDT) is an alternative cancer treatment method that can exert a selective cytotoxic activity toward malignant cells. PDT requires a sensitizing agents and light energy, which, in the presence of oxygen, leads to the generation of singlet molecular oxygen in cell. Singlet oxygen molecules are able to kill or inhibit growth of cancer cells. Meso-tetraphenylchlorin (MTPC), a photosensitizer, is similar to meso-tetraphenylporphyrin (MTPP) but the structure has one reduced pyrrole ring. The present study aimed to develop an in silico prediction model that considers PDT activity. The Quantitative-Structure Activity Relationship (QSAR) analysis using a series of porphyrin derivatives was carried out to build a statistically significant model possessing a good correlative and predictive capability for photosensitizer in PDT. Molecular Operating Environment (MOE) software was used to performed the QSAR analysis. Docking molecule of MTPP and MTPC on human serum albumine (HSA) and peripheral benzodiazepine receptor (PBR) had been done to test the docking energy associated with binding affinity between ligand and receptor. Docking simulation was performed by AutoDock software. The results showed that MTPC had the best docking energy to HSA and PBR. Furthermore, the QSAR analysis showed that MTPC had lower IC50 value compare with  MTPP.  Based on QSAR and molecular docking analysis, MTPC exhibit better photosensitizer as compare with MTPP.Keywords: molecular docking, photosensitizers, QSAR, MTPC, MTPP, PDT.
Co-Authors Abdul Haris Mulyadi Afifah, Dini Nur Afwa Hayuningtyas Afwa Hayuningtyas Amiratus Sholekhah Andi Ghina Septhea Andi Ghina Septhea Andi Ghina Septhea, Andi Ghina Anwar Ma'ruf Anwar Ma’ruf Anwar Ma’ruf Ardi Wiranata Arianingsih, Elfa Asmiyenti D. Djalil Asmiyenti Djaliasrin Djalil Asmiyenti Djalisrin Djali Bekti Wulan Sari Bekti Wulan Sari Bekti Wulan Sari Betty Ika Hidayah Charisma, Shintia Lintang Dea Y. Pradani Denia Awanda Putri Denia Awanda Putri Desiana Pradiyanti Dianita Yulia Sukma Dewi Dodi Siraj Muamar Zain Dwi Hartanti Dwi Hartanti Dwi Hartanti Dwi Hartanti Dwi Hartanti Dwi Hartanti Dwi Hartanti Dwi Hartanti Dwi Nugraheni Eka Yuliani Saputri Eka Yuliani Saputri Eli Nurlaeli Eli Nurlaeli Eli Nurlaeli, Eli Endar Pusapawiningtyas Endar Puspawiningtyas Endar Puspawiningtyas Endar Puspawiningtyas Endar Puspawiningtyas Endar Puspawiningtyas, Endar Fadlilah, Intan Nur Fitri Atyani, Fitri Fitriyani Fitriyani Ganda Kurniawan Ganda Kurniawan, Ganda Giswantara Giswantara Haq, M Tsabit Sofatul Haryanto, Totok Haryo Wibisono Haryo Wibisono Hasanah, Yeti Rusmiati Heru Sutopo Heru Sutopo Heru Sutopo Hidayah Anisa Fitri Hierro Azi Priawan Hierro Azi Priawan Intan Nur Fadlilah Istifah Istifah, Istifah Jeri Rinawati Kristiono Kristiono M. Gigih Panji Mahardika, M. Gigih Panji Ma'ruf, Anwar Magribi, Imam Maulana Mauliana, Dinda Mubshair Naveed Mubshair Naveed Mubshair Naveed Muliastri Mentari Naveed, Mubshair Neni Damajanti, Neni Noni Indriani Nur Afifah Andriyani Nur Afifah Andriyani Nur Afifah Handayani Nur Afifah Handayani, Nur Afifah Nur Annisa Septiyaningrum Nur Yulianingsih Nurul Fadhilah Deni Saputri Nurul Fadhilah Deni Saputri, Nurul Fadhilah Deni Pinyapat Jitphongsaikul Pinyapat Jitphongsaikul Pinyapat Jitphongsaikul Pradani, Dea Yulinestria Puspitasari, Adinda Putri, Regita Nanda Regawa Bayu Pamungkas Rinawati, Jeri Rizky Destya Sary Santosa, Arif Prashadi Septian Chandra Sasmita Shintia Lintang Charisma Shintia Lintang Charisma Sintia Jumitera Suparman Suparman Syah Putri, Tina Syarifah, Arini Tina Syah Putri Tri Nur Chasanah Vishal Chherti Wahyu Utaminingrum Wardani, Tri Kusuma Wicaksana, Firman Widya Agustina Widya Agustina Widya Ayu Dianata Wiwin Anggraeni Yulianingsih, Nur Yulianti , Henti