international seminar on medicinal chemistry and timmerman award ...

INTERNATIONAL SEMINAR
ON MEDICINAL CHEMISTRY
AND TIMMERMAN AWARD 2011
Medicinal Chemistry is a discipline that involved with search,
discovery, design, identification, and synthesis of biologically
active compounds (drugs), drug metabolism study, interpretation
of drug mechanism of action at molecular level, and chemical
structure-activity relationships (SAR) of serial compounds.
Medicinal chemistry is a highly interdisciplinary science
combining chemistry, biology, medical, and pharmaceutical
sciences.
Research activities in medicinal chemistry is important for the
development of Indonesia, especially in health area, i.e. in
finding new drugs, either from natural resources or synthetic
compounds.
Discovery of drugs are generally started from screening of
natural materials traditionally used for treatment of illness,
followed by isolation of active compounds, followed by semisynthesis
or total synthesis of the compounds. The active
compound can be used as lead compound to be further developed
to the more active and more selective compounds, with minimum
side effect and toxicity, through rational drug design. Before
synthesis, in silico study of interaction between drug and receptor
using modern computer program (molecular modeling) is
important to minimize trial and error. Then study on relationships
between structure, chemical properties (lipophilic, electronic, and
steric) and biological activity is carried out either two or three
dimensionally.
Considering the importance of those issues, Airlangga University
Faculty of Pharmacy, Gadjah Mada University Faculty of
Pharmacy, ITB School of Pharmacy, University of Indonesia
Department of Pharmacy, Indonesian Medicinal Chemists
Association (PERAKMI), and Indonesian Institute of Science
(LIPI) will jointly hold International Seminar on Medicinal
Chemistry and Timmerman Award 2011. Hopefully this <strong>seminar</strong>
will give positive impacts in enhancing the role of medicinal
chemistry in drug development in Indonesia.
At the end of the <strong>seminar</strong>, Timmerman Award will be presented
to the outstanding Indonesian young chemists working in
medicinal chemistry. There will be a prize for the best poster
presentation.
SCOPE OF THE SEMINAR
A. PLENARY LECTURES
Plenary lectures on recent advancement of medicinal chemistry
will be presented by scientists from Vrije Universiteit (The
Netherlands), Osaka Prefecture University (Japan), Korean
Institute of Science and Technology (KIST, Korea),
Chulalongkorn University (Thailand), Airlangga University
Faculty of Pharmacy, Gadjah Mada University Faculty of
Pharmacy, and Indonesian Institute of Science (LIPI).
B. POSTER PRESENTATION
Posters contain results of researches on medicinal chemistry-related
fields (molecular modeling, computational chemistry, organic
synthesis, phytochemistry, pharmacokinetics, pharmacology/
toxicology, and structure-activity relationships). Poster abstracts
should be sent to secretariat via e-mail ismc2011@yahoo.com by
September 20, 2011. Abstracts accepted for poster presentation
will be announced by September 25, 2011. Poster size is 90 cm x
120 cm (A0 paper). Poster contain should be: title, name of
authors, affiliation(s), introduction, method, results, and
conclusion. Full paper and soft copy should be sent via e-mail to
secretariat by October 1, 2011, the latest. Full paper should be
written by MSWord, A4 size, single space, Times New Roman
12pts, containing title, and name of authors, affiliation, abstract,
introduction, method, results, discussion, conclusion, and
references, see www.ismcaward.com. Only full papers submitted
before October 1, 2011, will be included in the proceeding.
C. WORKSHOP ON MOLECULAR MODELING
A workshop on molecular modeling, including computational
chemistry, descriptors determination, drug–receptor interaction
process (docking) in silico, quantitative structure-activity
relationships, and the computer program used. The workshop will
be held on October 12-14, 2011, at Faculty of Pharmacy,
Airlangga University.
Workshop fee (including hand outs, free computer program for
academic, coffee breaks and lunches) is IDR. 2.000.000,- per
participant. Participants are recommended to bring their own
laptop (minimum with Core Duo processor is required).
Application for workshop will be closed when the number of
participants reaches 40 persons.
PARTICIPANTS
Pharmacists, chemists, biologists, medical doctors, university
lecturers, researchers, and students who are interested in medicinal
chemistry, computational chemistry, and drug development.
SEMINAR DATE AND VENUE
Date : Saturday, October 15, 2011
Time : 08.30 – 17.30 Western Indonesian Time.
Venue : Faculty of Pharmacy, Airlangga University,
Jl. Dharmawangsa Dalam, Surabaya 60286,
East Java, Indonesia.
REGISTRATION
Registration of <strong>seminar</strong> and workshop may be performed by
submitting the registration in website www.ismcaward.com, or e-
mail, by October 8, 2011, the latest, to Dr. Marcellino Rudyanto
(secretary of organizing committee), Phone: +62-31-5033710;
Fax: +62-31-5020514; E-mail: ismc2011@yahoo.com or directly
at the venue.
Registration for Timmerman Award 2011 participants (only
for Indonesian young scientists, age maximum 45 years) should
be performed by October 1, 2011, via website or e-mail to the
same address, attached with CV and scientific paper on
Medicinal Chemistry.
PARTICIPATION FEE
For registration before October 1, 2011, the participation fee for
the <strong>seminar</strong> is IDR. 600,000/general participant; IDR. 400,000
/student; and workshop fee IDR. 2,000,000.
For registration after October 1, 2011, the participation fee for the
<strong>seminar</strong> is IDR. 700,000/general participant and IDR. 500,000
/student. Certificate, <strong>seminar</strong> proceeding, program book, coffee
break and lunch are included.
The participation fee should be sent via bank transfer to BNI
Cabang Unair Surabaya, A/C 0222812603, Swift Code:
BNINIDJA, A/N Nuzul Wahyuning Diyah. Copy of Bank
transfer should be sent by e-mail to the secretariat address.

INTENSIVE WORKSHOP ON RECENT
ADVANCES IN MOLECULAR MODELING AND
DRUG DESIGN METHODS
October 12, 2011
Introduction to Basics in Computational Methods in Drug
Design
This will cover the basics and basic terms on various
computational methods like Docking, Protein modelling, ADME
Prediction, Combinatorial library building and Docking, QM/MM
methods, Molecular dynamics, Cheminformatics, QSAR
Methods, Pharmacophore based methods, and Free energy
perturbation methods.
Docking (Hands on Session)
This will cover theory and hands on practical on how to rectify
the common problems in Protein structures, Importance and how
to prepare the ligands for molecular modelling studies, ADME
prediction and analysis, Prediction of ligand Binding site, ligand
Docking and structure based Virtual Screening.
October 13, 2011
Protein Modelling and Induced Fit Docking (Theory and
Practical)
We will cover theory and hands on session on various methods
involved in protein modelling and Induced fit docking and GPCR
structure prediction methods.
October 14, 2011
Ligand Based Drug Discovery Methods (Theory and
Practical)
We will cover the theory and hands on session on Pharmacophore
hypothesis generation, Database searching, Shape based
screening, Energy based pharmacophore, QSAR, Cheminformatics,
Core hopping and R group analysis.
Trainer: Dr. Raghu Rangaswamy, Senior Director from
Schrodinger Inc., USA.
SEMINAR PROGRAM
08.30 – 09.00 : Registration
09.00 – 09.10 : Opening Ceremony
09.10 – 09.30 : Coffee Break
08.30 – 15.00 : POSTER DISPLAY
Session I
Moderator : Prof. Dr. Umar Anggara Jenie (UGM)
09.30 – 10.10 : Plenary Lecture I
Prof. Dr. Henk Timmerman (Vrije Universiteit, Amsterdam)
10.10 – 10.50 : Plenary Lecture II
Prof. Dr. Masahiro Toyota (Osaka Prefecture University)
10.50 – 11.30 : Plenary Lecture III
Prof. Dr. Siswandono (PERAKMI and Airlangga University)
11.30 – 12.00 : Discussion
12.00 – 13.00 : Break for prayer and lunch
Poster Session
13.00 – 14.00 : Discussion.
Presenter should be on poster site for discussion.
Session II
Moderator : Prof. Dr. Daryono Hadi Tjahjono (ITB)
14.00 – 14.40 : Plenary Lecture IV
Dr. Chu Won Nho (Korean Inst. Of Science and Technology)
14.40 – 14.50 : Plenary Lecture V
Prof. Dr. Umar Anggara Jenie (Gadjah Mada University)
14.50 – 15.10 : Discussion
15.10 – 15.25 : Coffee Break
Session III
Moderator : Dr. Marcellino Rudyanto (UNAIR)
15.25 – 16.05 : Plenary Lecture VI
Prof. Dr. L. Broto S. Kardono (Indonesian Institute of Science)
16.05 – 16.45 : Plenary Lecture VII
Invite Lecturer from Chulalongkorn University, Thailand
(in confirmation)
16.45 – 17.05 : Discussion
17.05 – 17.15 : Timmerman Award Presentation.
17.15 – 17.30 : Closing Ceremony.
INTERNATIONAL SEMINAR
ON MEDICINAL CHEMISTRY
AND TIMMERMAN AWARD 2011
Jointly Organized by:
Faculty of Pharmacy, Airlangga University
Faculty of Pharmacy, Gadjah Mada University
School of Pharmacy, Institute of Technology Bandung
Department of Pharmacy, Faculty of Mathematics and
Science, University of Indonesia
Indonesian Medicinal Chemists Association (PERAKMI)
Indonesian Institute of Science (LIPI)