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All Journal Nurse Media Journal of Nursing Pharmaciana: Jurnal Kefarmasian Medical Journal of Indonesia Jurnal Kesehatan Andalas Jurnal Sains dan Teknologi Farmasi Biomedical Journal of Indonesia Jurnal Fitofarmaka Indonesia JSFK (Jurnal Sains Farmasi & Klinis) Jurnal Endurance: Kajian Ilmiah Problema Kesehatan JURNAL KESEHATAN PERINTIS Acta Biochimica Indonesiana Majalah Kedokteran Andalas Majalah Patologi Indonesia Bioscientia Medicina : Journal of Biomedicine and Translational Research Jurnal Ilmiah Kebidanan Indonesia (Indonesian Midwifery Scientific Journal) Andalas obstetrics and gynecology journal Science Midwifery Bioscientia Medicina : Journal of Biomedicine and Translational Research Cermin Dunia Kedokteran Jurnal Ilmu Kesehatan Indonesia (JIKSI) Indonesian Journal of Cancer Jurnal Kedokteran Hewan Medic Nutricia : Jurnal Ilmu Kesehatan Jurnal Sains, Teknologi dan Kesehatan Cermin Dunia Kedokteran
Daan Khambri
Fakultas Kedokteran, Universitas Andalas
Biochemistry, Genetics & Molecular Biology Chemistry Computer Science & IT Dentistry Education Engineering Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Materials Science & Nanotechnology Medicine & Pharmacology Neuroscience Nursing Public Health Veterinary

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Journal : Pharmaciana: Jurnal Kefarmasian

 1 
In silico analysis of wild-type and mutant KRAS Frengki Frengki; Dedi Prima Putra; Fatma Sriwahyuni; Daan Khambri; Henni Vanda
Pharmaciana Vol 9, No 1 (2019): Pharmaciana
Publisher : Universitas Ahmad Dahlan

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (469.716 KB) | DOI: 10.12928/pharmaciana.v9i1.11384

Abstract

The mutations of the KRAS gene at codons 12, 13, and 61 have been widely reported with different prognosis. In silico is one approach to explain the characteristics of the mutant genes. This study aimed to reveal the potential energy and fluctuations of the binding site and active site of wild-type KRAS (KRAS Wt) and mutant KRAS (KRAS Mt) at codons 12, 13, and 61. The samples used in this study were the sequences of KRAS Wt and KRAS Mt genes, which were subjected to in-silico analysis that included molecular homology, docking, and dynamics using MOE, PyMOL, and online CABS servers. The results showed that fluctuations in the binding site of all KRAS Mt were lower than that of KRAS Wt. On the contrary, the active site (switch I and switch II) of KRAS Mt fluctuated more widely than KRAS Wt. The potential energy of KRAS Mt before forming a complex with GTP was higher (p<0.01) than KRAS Wt. After this formation, it remained higher at codons 12 and 61 but lower at codons 11 and 13 (p <0.001). Mt G12A did not show any changes. The higher fluctuations in the switch I and switch II regions and the post energy of KRAS-GTP complexes may explain why types of cancers with mutations at codons 11 and 13 have a better prognosis than those with mutations at codons 12 and 61.
Prediction of diacerein inhibition activity against interleukin-1 receptors through docking method and tracing of pharmacokinetic profiles and their toxicity Frengki Frengki; Vivi Sofia; Deddi Prima Putra; Fatma Sri Wahyuni; Daan Khambri; Henni Vanda
Pharmaciana Vol 10, No 3 (2020): Pharmaciana
Publisher : Universitas Ahmad Dahlan

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (241.082 KB) | DOI: 10.12928/pharmaciana.v10i3.16445

Abstract

IL-1 is one of the cytokines involved in joint diseases such as osteoarthritis. IL-1 plays a role in maintaining the balance of proteolytic proteins:MMPs and TIMPs inhibitors. Increased expression and uncontrolled IL-1 activity tend to increase the role of MMPs in degrading proteoglycans and joint tissue collagen. This study aims to reveal the interaction model of one of the osteoarthritis drugs, namely diacerein. A drug belongs to a group of disease-modifying osteoarthritis drugs (DMOADs) to suppressthe development of the disease rate, improving the structure and function of the cartilage and surrounding tissue. "In silico" digital test uses the technique of "molecular docking: used as a method of the approach using the MOE 2007.09 software application. The test material was in the form of a diacerein 3D structure and five control ligands, while the IL-1β / IL-1RI receptor template was downloaded from pdb.org (PDB ID: 1ITB). The ligand pharmacokinetic profile will also be displayed obtained through the ADMETSAR server. The docking results showed diacerein had the lowest docking score of -12.3285 kcal/mol with the strongest affinity, the best pharmacokinetic profile but more toxic. This study proves that the mechanism of diacerein inhibition of IL-1β / IL-1RI receptors is similar to dexamethasone, prednisolone,and minocycline.
Co-Authors ., Azamris ., Oktahermoniza Abdul Hafiz, Muhammad Zaki Afrinita Eka Fitri Afriwardi Afriwardi Agus Susanta Ahmad Fakhrozi Helmi Aisha Rahmatya Aisyah Elliyanti Anandia Putriyuni Anandia Putriyuni Anggraini, Dessy Ari Oktavenra Ari Yanto Wijaya Arifin, Hidayat Arni Amir Asterina Aswiyanti Asri Azamris Azamris Aziza, Zulva Berna Elya Bobby Indra Utama Citra Ayu Fitrisia Deddi Prima Deddi Prima Putra Dedi Prima Putra Defri Heryadi Dessy Arisanty Dia Rofinda, Zelly Dia Edison Edison Eka Putri Eka Putri Elfira Yusri Erlina Rustam Ermawati Ermawati Ermawati Ermawati Eti Yerizel Fadrian, Fadrian Fatma Sri Wahyuni Frengki Frengki Frengki Frengki, Frengki Hafiz, Muhammad Zaki Abdul Hafni Bachtiar Hasmiwati Henni Vanda Henni Vanda Henni Vanda Henni Vanda Henny Mulyani henny Mulyani Henny Vanda Hera Novianti Heryadi, Defri Hidayat, Nur Latifah Alfaina Husna Yetti Intan, Shinta Ayu Isra Analdo Arza Jamil, Mohd Jamilah Abbas Krisdianto, Boby Febri Leni Merdawati M. Al Farisyi Muhammad Reno Akhyar Marpaung Muhammad Zaki Abdul Hafiz Niki Astria Nina Kurniasih Nindita, Priska Audina Nirmala Sari Noni Zakiah Nora, Sondang Noza Hilbertina Noza Hilbertina, Noza Nurhayati Nurhayati Oktahermoniza Oktahermoniza . Oktavenra, Ari Pamelia Mayorita Prima Astuti Handayani Putra, Fachri Putri, Biomechy Oktomalio Putriyuni, Anandia Ramadanus Ramadanus Ramadanus Rifa, Farras Zahra Rima Semiarty Rini Purnama Sari Rony Rustam Rony Rustam Rony Rustam Rony Rustam Rony Rustam Rosfita Rasyid Rulli Firmansyah Rustam, Rony Safnita, Dewi Selfi Renita Rusdji Selfi Renita Rusjdi Septiyeni, Elsa Sofia Mubarika Sofia Mubarika Haryana Sonar Soni Panigoro Sondang Nora Sondang Nora Sondang Nora Harahap Sorayya A'dilah Putri Suchitra, Avit Suyuthie, Heldrian Dwinanda Syamel Muhammad Tofrizal tofrizal - tofrizal Vashti Resti Putri Firdaus Veithzal Rivai Zainal Vivi Sofia Vivi Sofia Vivi Sofia wessi windrasari Wirsma Arif Harahap Wirsma Arif Harahap Yanwirasti - Yanwirasti - Yenita . Yenita Afriyeni Yopiq Triputra Yulia Kurniawati Yusticia Katar Yusticia Katar, Yusticia