Article Per Year (5 Year)
p-Index From 2021 - 2026
0.444
P-Index
This Author published in this journals
All Journal Jurnal Ilmu Farmasi dan Farmasi Klinik (Journal of Pharmaceutical Science and Clinical Pharmacy) JSFK (Jurnal Sains Farmasi & Klinis)
Riandono, Fransiscus Deddy
Unknown Affiliation
Biochemistry, Genetics & Molecular Biology Health Professions Immunology & microbiology Medicine & Pharmacology Public Health

Published : 2 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 2 Documents
Search

 1 
Deciphering the Molecular Basis of Mutated Binding Site Bromodomain-Ligand Complexes: Insights from Molecular Dynamics Simulations and Decoded Interaction Fingerprint Analysis Riandono, Fransiscus Deddy
Jurnal Ilmu Farmasi dan Farmasi Klinik Vol 20, No 2 (2023)
Publisher : Universitas Wahid Hasyim Semarang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31942/jiffk.v20i2.8760

Abstract

This study aims to predict structural stability changes and to identify the molecular determinants of ligand-bromodomain complex interactions that undergo mutations in the ligand binding site (LBS) using computational chemistry methods. The stability changes of the complexes were investigated using Molecular Dynamics (MD) simulations during a 25 ns production run. The identification of molecular interaction determinants was performed by decoding the interaction fingerprint, utilizing the output of trajectory data of the MD simulations, which were converted into a series of pdb files along the time step. The system preparations were done using CHARMM-GUI. The MD simulations were carried out using the GROMACS program. Protein-ligand interaction fingerprints (PLIF) were identified using the PyPLIF-HIPPOS program. This study successfully predicted the stability of both wild-type and mutated ligand-bromodomain complex structures, where the W81A mutation led to a decrease in complex stability. The key residues and non-hydrophobic interaction types responsible for the stabilities were identified as TRP81 aromatic edge-to-face, TYR139 aromatic edge-to-face, and TYR139 aromatic face-to-face.
Identifikasi Determinan Molekul Interaksi STK630921 pada Interleukin-17A Riandono, Fransiscus Deddy; Istyastono, Enade Perdana
JSFK (Jurnal Sains Farmasi & Klinis) Vol 9 No 1 (2022): J Sains Farm Klin 9(1), April 2022
Publisher : Fakultas Farmasi Universitas Andalas

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25077/jsfk.9.1.57-63.2022

Abstract

Interleukin-17A (IL-17A) merupakan sitokin pro-inflamasi yang terlibat dalam patogenesis beberapa penyakit, antara lain psoriasis, rheumatoid arthritis, kanker, diabetes dan penyakit ginjal stadium akhir. Peningkatan kadar serum IL-17A memberikan petunjuk adanya keterkaitan antara IL-17A pada kejadian nefropati diabetik. Keterkaitan ini juga diperjelas dengan temuan bahwa penghambatan aktivitas IL-17A dapat menurunkan albuminuria, cedera ginjal dan menunda perkembangan nefropati diabetik. Peranan IL-17A ini menjadikannya sebagai pilihan target potensial terapi nefropati diabetik yang sejauh ini bertumpu pada pengendalian optimal sistem renin angiotensin. Penelitian ini bertujuan mengidentifikasi determinan molekul interaksi STK630921 pada IL-17A. Penelitian dilakukan dengan penambatan molekul STK630921 pada protein IL-17A, dilanjutkan dengan simulasi dinamika molekul selama 15 ns. Identifikasi determinan molekul dilakukan menggunakan bantuan perangkat lunak PyPLIF-HIPPOS terhadap hasil simulasi dinamika molekul. Penelitian ini berhasil mengidentifikasikan asam-asam amino yang berperan penting yaitu His29, Trp67, Asn27, Lys114 dan Glu95 dengan interaksi aromatik dan interaksi hidrogen sebagai jenis interaksi yang berperan pada aktivitas STK630921 pada struktur protein 4HR9.
Co-Authors Enade Perdana Istyastono