Enade Istyastono

Enade Istyastono

Senior Lecturer (Lektor Kepala/Associate Professor) in Medicinal Chemistry at Sanata Dharma University

Location
Yogyakarta Area, Yogyakarta, Indonesia
Industry
Research

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Enade Istyastono's Overview

Current
Past
  • Lecturer (Lektor/Assistant Professor) at Sanata Dharma University
  • PhD Student at Vrije Universiteit Amsterdam
  • PhD Student at VU University Amsterdam
  • Chairperson at Drug Research Center, Sanata Dharma University, Yogyakarta
Education
  • SMA Taruna Nusantara
Connections

460 connections

Websites

Enade Istyastono's Experience

Senior Lecturer (Lektor Kepala/Associate Professor)

Sanata Dharma University

Design industry

October 2013Present (1 year) Yogyakarta Province, Indonesia

(Computational) Pharmacy/Medicinal Chemistry

Educational Institution; 1-10 employees; Renewables & Environment industry

August 2012Present (2 years 2 months) Indonesia

Support, promote and manage researches with focus on sustainable development.

Lecturer (Lektor/Assistant Professor)

Sanata Dharma University

Design industry

May 2007September 2013 (6 years 5 months) Yogyakarta Province, Indonesia

(Computational) Pharmacy/Medicinal Chemistry

From 2003 - May 2007 served in the University as a Junior Lecturer (Dosen Kontrak-Asisten Ahli).

Educational Institution; 1001-5000 employees; Research industry

2008May 2012 (4 years)

Drug Discovery Targeting Histamine H4 Receptor

Educational Institution; 1001-5000 employees; Research industry

February 2008February 2011 (3 years 1 month)

Design industry

20052006 (1 year)

Enade Istyastono's Skills & Expertise

  1. Molecular Modeling
  2. Drug Design
  3. Cheminformatics
  4. Medicinal Chemistry
  5. Bioinformatics
  6. Drug Discovery
  7. Organic Synthesis
  8. Organic Chemistry
  9. Virtual Screening
  10. Docking
  11. Biochemistry
  12. Chemistry
  13. Lifesciences
  14. Molecular Dynamics
  15. Computational Chemistry
  16. Science
  17. Protein Chemistry
  18. Spectroscopy
  19. Scientific Writing

Enade Istyastono's Publications

  • Molecular Determinants of Selective Agonist and Antagonist Binding to the Histamine H(4) Receptor

    • Curr Top Med Chem
    • January 25, 2011
    Authors: Enade Istyastono, Chris de Graaf, Iwan de Esch, Rob Leurs

    The deorphanization of the histamine H(4) receptor (H(4)R) has led to a significant number of scientific publications and patent applications. Whereas some histamine H(1), H(2) and H(3) receptor ligands were found to have significant affinity for H(4)R, several agonists and antagonists with high affinity for H(4)R and selectivity over the other histamine receptors were successfully designed and synthesized. Moreover, site-directed mutation studies on H(4)R have been performed and reveal detailed information on receptor-ligand interactions. This review will focus on the most important H(4)R ligand scaffolds and their structure-activity relationships and selectivity over other histamine receptors and specific H(4)R functional activity. Experimental data are used to construct and validate high resolution three-dimensional receptor-ligand models and, vice versa, in silico models are used to design and rationalize experimental studies to probe receptor-ligand interactions.

  • Molecular determinants of ligand binding modes in the histamine H4 receptor: Linking ligand-based 3D-QSAR models to in silico guided receptor mutagenesis studies.

    • Journal of medicinal chemistry
    • October 17, 2011
    Authors: Enade Istyastono, Albert J. Kooistra, Saskia Nijmeijer, Herman D Lim, Andrea van de Stolpe, Luc Roumen, Henry F Vischer, Iwan de Esch, Rob Leurs, Chris de Graaf

    The histamine H4 receptor (H4R) is a G-protein coupled receptor (GPCR) that plays an important role in inflammation. Similar to the homologous histamine H3 receptor (H3R), two acidic residues in the H4R binding pocket, D3.32 and E5.46, act as essential hydrogen bond acceptors of positively ionizable hydrogen bond donors in H4R ligands. Given the symmetric distribution of these complementary pharmacophore features in H4R and its ligands, different alternative ligand binding mode hypotheses have been proposed. The current study focuses on the elucidation of the molecular determinants of H4R-ligand binding modes by combining (3D) quantitative structure-activity relationship (QSAR), protein homology modeling, molecular dynamics simulations, and site-directed mutagenesis studies. We have designed and synthesized a series of clobenpropit (N-(4-chlorobenzyl)-S-[3-(4(5)-imidazolyl)propyl]isothiourea) derivatives to investigate H4R-ligand interactions and ligand binding orientations. Interestingly, our studies indicate that clobenpropit (2) itself can bind to H4R in two distinct binding modes, while the addition of a cyclohexyl group to the clobenpropit isothiourea moiety allows VUF5228 (5) to adopt only one specific binding mode in the H4R binding pocket. Our experimentally supported ligand-steered protein modeling method gives new insights into ligand recognition by H4R and can be used as a general approach to elucidate the structure of protein-ligand complexes.

  • Virtual fragment screening: Discovery of histamine H3 receptor ligands using ligand-based and protein-based molecular fingerprints

    • Journal of Chemical Information and Modeling
    • November 9, 2012
    Authors: Enade Istyastono, Francesco Sirci, Chris de Graaf, Henry F. Vischer, Albert J. Kooistra, Saskia Nijmeijer, Martien Kuijer, Maikel Wijtmans, Raimund Mannhold, Rob Leurs, Iwan de Esch

    Virtual Fragment Screening (VFS) is a promising new method that uses computer models to identify small, fragment-like biologically active molecules as useful starting points for Fragment-Based Drug Discovery (FBDD). Training sets of true active and inactive fragment-like molecules to construct and validate target customized VFS methods are however lacking. We have for the first time explored the possibilities and challenges of VFS using molecular fingerprints derived from a unique set of fragment affinity data for the histamine H3 receptor (H3R), a pharmaceutically relevant G Protein-coupled Receptor (GPCR). Optimized FLAP (Fingerprint of Ligands And Proteins) models containing essential molecular interaction fields that discriminate known H3R binders from inactive molecules were successfully used for the identification of new H3R ligands. Prospective virtual screening of 156,090 molecules yielded a high hit rate of 62% (18 of the 29 tested) experimentally confirmed novel fragment-like H3R ligands that offer new potential starting points for the design of H3R targeting drugs. The first construction and application of customized FLAP models for the discovery of fragment-like biologically active molecules demonstrates that VFS is an efficient way to explore protein-fragment interaction space in silico.

  • Inhibition of human glutathione S-transferases by curcumin and analogues

    • Xenobiotica. 2009 Apr;39(4):302-11.
    • April 2009
    Authors: Enade Istyastono, Regina Appiah-Opong, Jan N. M. Commandeur, J. J. Bogaards, Nico P. E. Vermeulen

    Inhibition studies of curcumin and its analogs on human glutathione S-transferases followed by a quantitative structure-activity relationship (QSAR) analysis to build mathematical models explaining the inhibitory activities.

  • Triazole ligands reveal distinct molecular features that induce histamine H4 receptor affinity and subtly govern H4/H3 subtype selectivity

    • J. Med. Chem. 2011, 54, 1693-1703
    • March 2011
    Authors: Enade Istyastono, Gerdien de Kloe, Maikel Wijtmans, Chris de Graaf, Judith Smit, Herman Lim, Ratchanok Boonnak, Saskia Nijmeijer, Obbe Zuiderveld, Rogier Smits, Aldo Jongejan, Iwan de Esch, Rob Leurs

Enade Istyastono's Education

Vrije Universiteit Amsterdam

Doctor of Philosophy (Ph.D.), Chemistry and Pharmaceutical Sciences

20082012

Vrije Universiteit Amsterdam

Master of Sciences, Pharmaceutical Sciences

20062008

Universitas Gadjah Mada (UGM)

Sarjana, Farmasi

19972002

From February 2002 to February 2003 attended Pharmacy Professional Program and being granted the degree of Pharmacist.

Activities and Societies: Keluarga Mahasiswa Kristen dan Katolik (KMKK) Fak. Farmasi, Pers Mahasiswa Fak. Farmasi "Farsigama", Unit Kerohanian Kristen (UKK) Univ. Gadjah Mada

SMA Taruna Nusantara

-, -

19941997

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