CADD 2015

In view of the potentially huge significance of this field of research, USM are taking the initiative to organise a seminar and a hands-on workshop that will explore in great detail the critical aspects and current issues associated with computer aided drug design and led by a panel of highly accomplished innovators in the international pharmaceutical scene. The seminar is aimed to provide the insight into successful applications of CADD in discovery and design of new drugs achieve by pharmaceutical industries and academics. This year, the focus will be on Molecular Simulation & Structure Based Drug Design. It is expected that the outcomes of this workshop will increase our appreciation of the state of the art of drug design methodologies; stimulation of research in the field in the country and strengthen international cooperation (as most of the invited speakers are experts in the field). This seminar also will be the starting of our understanding of how the field is being utilised at its fullest in discovering new drugs or in understanding their mechanism of action.

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Invitation to Submit an Abstract

We invite you to submit an abstract for poster presentation. The maximum poster size is printed on A1 paper (2 feet x 3 feet).
Some of the posters will be upgraded for 10 minutes presentation during the short talk session.
The abstract for poster must be submitted by 28th of November 2015.
Selection of upgraded oral presentation will be notified by email by 5th of December 2015.




Kenneth M. Merz

CADD 2015 Speaker

Kenneth M. Merz, Jr. is currently the Director of the Institute for Cyber Enabled Research (iCER) and the Joseph Zichis Chair in Chemistry at Michigan State University as well as the Editor-in-Chief, Journal of Chemical Information and Modeling, an American Chemical Society publication. One of the pioneers in AMBER Molecular Modeling development team, Dr Merz's research interest lies in the development of theoretical and computational tools and their application to biological problems including structure and ligand based drug design, mechanistic enzymology and methodological verification and validation (i.e., error analysis). He has published ~240 papers and given over 240 lectures worldwide describing his research. Professor Merz was previously a University of Florida Research Foundation Professor, the Edmund H. Prominski Professor of Chemistry, the Colonel Allan R. and Margaret G. Crow Term Professor and a Member of the Quantum Theory Project all at the University of Florida from 2005-2013. Prior to the University of Florida he was an Assistant, Associate and Professor of Chemistry at the Pennsylvania State University from 1989-2005. He also has worked in industry (1998-2001) first as the Senior Director of the Center for Informatics and Drug Discovery (CIDD) at Pharmacopeia, Inc. (now part of Ligand, Inc.) and then as the Senior Director of the ADMET Research and Development Group in the Accelrys software division of Pharmacopeia. He is the founder of the software company QuantumBio, Inc located in State College, Pennsylvania. Dr. Merz carried out postdoctoral training at The University of California, San Francisco (1987-1989, with Peter Kollman) and at Cornell University (1986-1987, with Roald Hoffmann). He received his Ph.D. in Organic Chemistry at The University of Texas at Austin in 1985 (with M. J. S. Dewar) and his B.S. from Washington College, Chestertown, Maryland in 1981. Professor Merz has received a number of honors including, election as the 2013 Chair of the COMP division of the ACS, election as an ACS Fellow, the 2010 ACS Award for Computers in Chemical and Pharmaceutical Research, election as a fellow of the American Association for the Advancement of Science, a John Simon Guggenheim Fellowship and he has held visiting professorships at the Institute for Research in Biomedicine (Barcelona, Spain), Ecole Polytechnique (Paris, France), University of Florence (Florence, Italy), The University of Strasbourg (Strasbourg, France), The University of Oviedo (Oviedo, Spain) and the ETH (Zurich, Switzerland).


Professor Federico Gago

CADD 2015 Speaker

Prof. Federico Gago studied Pharmacy at Complutense University, Madrid, and followed post-doctoral studies at the Physical Chemistry Laboratory, Oxford University, under the supervision of Prof. W. Graham Richards. He teaches Pharmacology at the Schools of Pharmacy and Medicine in the University of Alcalá (Madrid), one of the oldest European universities, where he is a Full Professor in the Department of Biomedical Sciences. He was Associate Director of the NFCR Center for Computational Drug Design (Oxford) from 2001 to 2006, and a member of the Editorial Advisory Board of Journal of Medicinal Chemistry from 2006 to 2010. Since 2001 he has been serving as an Editor-in-Chief for Journal of Computer-Aided Molecular Design and as a member of the Editorial Advisory Board for Anti-Cancer Agents in Medicinal Chemistry (formerly Current Medicinal Chemistry - Anti-Cancer Agents). Prof. Gago has authored more than 150 research papers in specialized scientific journals and has published several reviews and book chapters. His research interests are in the areas of structure-based drug design, receptor-based structure-activity relationships, and computer simulations of drug-targeted biomolecular systems including DNA, enzymes and pharmacological receptors.


Professor Naomie Salim

CADD 2015 Speaker

Dr. Naomie Salim graduated with a Bachelor of Science (Computer Science) from Universiti Teknologi Malaysia. She obtained her Masters Degree in Computer Science from Western Michigan University, USA and her PhD in Information Studies (Chemoinformatics) from University of Sheffield. She was the Deputy Dean for Research and Post Graduate Studies at the Faculty of Science and Information Systems for six years since 2005. In her academic career, Dr Naomie has taught at both undergraduate and postgraduate level, mostly for subjects related to Databases, and Information Systems. Her research interest includes Information Retrieval and Cheminformatics. She has also authored over 150 journal articles and conference papers describing research into novel techniques for computerised information retrieval, with particular reference to textual, chemical and biological information. Among the research and innovation awards received by Dr Naomie are the PECIPTA 2011 Gold Medal award, the I-inova 2010 Gold Medal award, BioInnovation 2011 Bronze Award, UTM 2010 Best Research Award and the INATEX Distinction Award (1998). Her latest research works are A Quantum-Based Similarity Method in Virtual Screening, Uncovering Highly Obfuscated Plagiarism Cases Using Fuzzy Semantic-Based Similarity Model, Pattern-Based System to Extract and Distinguish Drug Adverse Effect Relation From Other Drug-Medical Condition Relations In The Same Sentence, and Data Fusion Approaches In Ligand-Based Virtual Screening: Recent Developments Overview.




Professor Dr. Dušanka Janezic

CADD 2015 Speaker

Professor Dr. Dušanka Janezic is a Full Professor at the Faculty of Mathematics, Natural Sciences and Information Technologies at the University of Primorska (Slovenia). Before that she was the head of the Laboratory of Molecular Modeling at the National Institute of Chemistry (Slovenia). She is a member of the editorial boards of the Journal of Chemical Information and Modeling, the Journal of Cheminformatics and of Advances in Chemoinformatics and Computational Methods. She previously was an editor for over 14 years of the Journal of Chemical Information and Modeling, an American Chemical Society Publication. She obtained a Bachelor and Master in Mathematics in 1976 and 1982 respectively and her PhD in Chemistry in 1986 at the University of Ljubljana. In 1988-1989 she worked in the USA as a visiting researcher at the National Institute of Standards and Technology (NIST). As a Senior Fulbright Scholar she conducted research in the USA at the National Institutes of Health (NIH) in 1990-1991 and in 1994-95. In 1999, she worked for three months at the Technical University of Munich, Germany as a DAAD fellow. In 1999, Prof. Dušanka Janežic received the State Award “Ambassador in Science of the Republic of Slovenia” awarded for her research achievements, which contributed to increasing international recognition of the Republic of Slovenia. In 2013 she was awarded the prestigious Zois Award for outstanding achievements in mathematics in natural sciences. Since 2013 she is appointed by the government of Republic of Slovenia as council member of the National Agency of Qualitative Evaluation of Higher Education in Slovenia. Prof. Dušanka Janežic has taught mathematical and computational chemistry for many years at the Universities of Ljubljana and Primorska in Slovenia. She has published over 90 papers in peer-reviewed journals and published the book "Graph Theoretical Matrices in Chemistry" in 2007 and the second edition in 2015 with CRC Press. Her research interests include protein dynamics, structure in molecular liquids, biomolecular simulations, protein binding sites and protein-protein binding. She is expert in all modern computer systems and programs used to solve these problems and is eager to bring these methods to bear on problems in drug discovery.


Professor Dr. Mohd Basyaruddin Abdul Rahman

CADD 2015 Speaker

Prof. Dr. Mohd Basyaruddin is currently the Deputy Dean of Research & Graduate Studies in Faculty of Science, Universiti Putra Malaysia and also a Fellow of Academy of Sciences Malaysia. He obtained his Bachelor’s double degree in Chemistry and Computer Science with Education at Universiti Teknologi Malaysia in 1995 and his PhD at University of Southampton in 1999. He served on the Editorial Board of The Open Catalysis Journal (Bentham), Journal of Chemical Biology & Therapeutics (OMICS), and JSM Enzymology and Protein Science (JSciMedCentral). His research interests are catalysis chemistry, chemical biology and computational chemistry. He received Top Research Scientist Malaysia award in 2012, Outstanding Academic – Young Scientist, World Economic Forum award in 2009, and Young Chemists Award, IUPAC in 2007.


Professor Dr. Stephen Doughty

CADD 2015 Speaker

Prof. Doughty is the Vice-Provost (Teaching and Learning) at the University of Nottingham Malaysia Campus in Kuala Lumpur. He obtained a first-class degree in Chemistry from the University of Essex and a DPhil in Chemistry from Oxford University. In 2005, he moved to the Malaysia Campus to establish the School of Pharmacy at UNMC and became the Dean of the Faculty of Health & Biological Sciences, later renamed to the Faculty of Science. In 2008, in recognition of his contribution to teaching on the MPharm degree and the student experience at UNMC, he became the first member of staff based at the Malaysia Campus to be awarded the Dearing Award for Excellence in Teaching. He has had extensive experience helping to guide the strategic direction of UNMC and continues to drive new teaching and learning initiatives in order to keep pace with developments in learning technologies and student expectations. His research interests are focused on modeling and computer-aided drug design with a particular interest in modeling membrane-bound proteins. Particular emphasis upon anti-cancer drug design, including using novel techniques such as QM/MM hybrid approaches to model the conversion of harmless pro-drugs in to anti-cancer therapeutic drugs. Also, modeling membrane-bound proteins such as GPCRs and ion channels for drug design.


Professor Dr. Daryono Hadi Tjahjono

CADD 2015 Speaker

Prof. Daryono is a Professor at School of Pharmacy, Institut Teknologi Bandung, Indonesia. He completed his Doctor of Philosophy degree in Medicinal Chemistry from Faculty of Science and Technology, Keio University, Japan. Currently, he is in a Board of Director of Asian Association of School of Pharmacy and also a Board Member of Asian Federation of Medicinal Chemistry since 2013. His areas of interests are in the field of computing in mathematics, natural science, engineering and medicine, analytical chemistry, chemo-informatics. His latest research works are Photophysical And Physicochemical Properties Of Cu(II)CHLORIN e4 AND Cu(II)CHLORIN e6 As A Lead Compound of Photosensitizer For PDT, Molecular Docking and Dynamics Simulations on the Interaction of Cationic Porphyrin-Anthraquinone Hybrids with DNA G-quadruplexes, and 198 Interaction of porphyrin-anthraquinone hybridswith HSP90: in silico study.


Associate Professor Dr. Ly Le

CADD 2015 Speaker

Associate Professor Ly Le joined School of Biotechnology, International University (IU), Vietnam National University upon her completion of her PhD study in 2010 from University of Utah. She has built a Computational Biology Center at IU and led an active research group in applied Bioinformatics and Drug design. Up to Nov 2015, she has published 34 international papers, 1 book and 1 book chapter.


Assoc. Prof. Dr. Nizam Mordi

CADD 2015 Speaker

Dr. Nizam is an Associate Professor in Centre for Drug Research, Universiti Sains Malaysia. His research interests are in the areas of analytical chemistry, chemo-informatics, and medicinal chemistry. His latest works are NMR structural assignments for four new 6-methoxy-tetrahydro- ß -carboline derivatives, ChemInform Abstract: A Facile Synthesis of (Carbazolyl) formamidines., and 5-Methoxytryptamine reacts with natural food flavour to produce 6-methoxy tetrahydro-ß-carbolines: In vitro investigation of their antioxidant and cytotoxicity properties.


Associate Prof. Dr. Vannajan Sanghiran Lee

CADD 2015 Speaker

Asst. Prof. Dr. Vannajan Sanghiran Lee received her BSc (1994) in Chemistry from Chiang Mai University, Thailand and PhD (2001) in Pharmaceutical Sciences and Physical Chemistry from University of Missouri-Kansas City, USA under the scholarship from the Institute of Promotion and Development Science and Technology Project, Thailand. After that she received the Post Doctoral Scholarship (2002) from the Thailand Research Fund and worked at the Computational Chemistry Unit Cell (CCUC), Chulalongkorn University, Thailand. Presently, she is working as a lecturer and researcher in Computational Simulation and Modeling Laboratory (CSML), Department of Chemistry and Center for Innovation in Chemistry, Chiang Mai University, Chiang Mai, Thailand. In 2010, she has joined the school of pharmaceutical sciences, University Sains Malaysia as a visiting researcher. She has recently worked as a senior lecturer at Department of chemistry, University of Malaya. Her present research interest includes computer-aided molecular modeling and computational chemistry using Molecular Dynamics (MD), Monte Carlo Simulations (MC) and Quantum Mechanics (QM) in diverse research and development ?elds such as biomolecular/material design.


Dr. Sophi Damayanti

CADD 2015 Speaker

Dr. Sophi Damayanti is a lecturer at School of Pharmacy, Institut Teknologi Bandung, Indonesia since 1999. She obtained both a Bachelor in Pharmacy and Master in Pharmaceutical Chemistry with cum laude at Institut Teknologi Bandung, Indonesia in 1997 and 2002 respectively. She continued her Doctoral study at Prof. Kussack research group Institute of Pharmaceutical and Medicinal Chemistry, Heinrich-Heine-University of Düsseldorf Germany in 2008. Her latest research works include Simultaneous Determination Method of BHA, BHT, Propyl Gallate, and TBHQ in Margarine using High Performance Liquid Chromatography, Interactions of Porphyrin-Acridine Hybrids to DNA Duplexes and Quadruplex: In Silico Study, and Prediction of Hazard Identification and Characterization of Several Compounds used as Food Additives Applying In Silico Methods. The courses she teaches in ITB are Food Analysis and Safety, Instrumental Method of Analysis, Organic Pharmaceutical Analysis, Medicinal Chemistry, Pharmaceutical Microbiology, and Computational Chemistry.


Dr. Jutti Levita

CADD 2015 Speaker

Dr. Jutti Levita is a lecturer and researcher in Department of Pharmaceutical Analysis and Medicinal Chemistry of Faculty of Pharmacy, University of Padjadjaran, Indonesia. She obtained her PhD at School of Pharmacy, Bandung Institute of Technology, Indonesia in 2011. In 2011 to 2014, she served as the Managing Editor for Indonesian Journal of Applied Sciences. Her major research interests are in the field of natural products and in silico studies pertaining anti-inflammatory drug design. She is actively involved in the research on natural products such as Selliguea feei (pakis tangkur), Zingiber officinale (ginger), Andrographis paniculata (sambiloto), Myristica fragrans Houtt (nutmeg) and Hibiscus sabdariffa. Her latest work is on virtual screening of co-formers for ketoprofen cocrystallization and the molecular properties of the co-crystal.


Dr. Supat Jiranusornkul

CADD 2015 Speaker

Dr. Supat obtained his Doctor of Philosophy (Pharmacy) at University of Nottingham, Nottingham, United Kingdom with Thesis: “Molecular Modelling Studies of DNA Damage Recognition”, Master of Pharmacy (Pharmaceutical Chemistry) from Chiang Mai University, with thesis: “Synthesis of 6-Aminoquinoline Derivatives as Potential Antimalarial Agents” and Bachelor of Pharmacy from Chiang Mai University. He has experience as research trainer under the AIEJ short-term student exchange promotion program in Organic Synthesis Laboratory of Prof. Hideo Nemoto, Graduate School of Pharmaceutical Sciences, Toyama Medical and Pharmaceutical University, Toyama, Japan, exchanged student in Organic Synthesis Laboratory of Prof. Yasumasa Hamada, Faculty of Pharmaceutical Science, Chiba University supported by Chiba Lion Clubs. Currently he is a lecturer and associate Dean for Planning and Education Quality Assurance, Faculty of Pharmacy, Chiang Mai University. His current researches are in field of Molecular docking for prediction of herb-drug interactions, Biomolecular dynamics simulation to understand the recognition pathway of DNA-protein recognition, particularly oxidative DNA damage, Molecular dynamics simulation of antigen-antibody complexes, Protein modelling for specific DNA sequences, Northern Thai herbal database. His publications can be seen in Chiang Mai Journal of Science, 2014, Molecular Immunology, 2010, Protein Sciences, 2009, Journal of Royal Society Interface, 2008, and Heterocycles, 2002


Dr. Rozana Othman

CADD 2015 Speaker

Dr. Rozana is a senior lecturer in Department of Pharmacy, Faculty of Medicine, Universiti Malaya. She obtained her Bachelor degree in Chemistry, Masters and Doctor of Philosophy from Universiti Malaya in 1995, 1998, and 2010 respectively. In 2014, she is the Deputy Head of Center for Natural Products Research and Drug Discovery (CENAR), an Associate Member of Institut Kimia Malaysia from 2009 until 2015, and an Academic Member of Drug Design and Development Research Group in 2008. Her areas of expertise are computational chemistry (molecular modeling), medicinal chemistry (drug discovery & design), and natural products chemistry. Articles published for this year include The prevalence of c.2268dup and detection of two novel alterations, c.670_672del and c.1186C>T, in the TPO gene in a cohort of Malaysian- Chinese with thyroid dyshormonogenesis, Formation of 1,3,4- oxadiazolines and 1,3,4-oxadiazepines through acetylation of salicylic hydrazones, and Bibliometric Analysis On Research Study Of Pomegranate: A Review Towards New Findings.


Dr. Yam Wai Keat

CADD 2015 Speaker

Dr. Yam Wai Keat obtained her Bachelor degree in Bioinformatics from University of Malaya before obtaining a Ph.D in Structural Bioinformatics from Universiti Sains Malaysia in 2010 under the supervision of Prof Habibah A. Wahab. Her research interest includes various molecular modelling works such as molecular dynamics simulation, molecular docking, structure prediction and etc. She is currently lecturing in International Medical University under the Life Sciences department in School of Pharmacy and Health Sciences. Her latest works are Targeting Heat Shock Proteins 60 and 70 of Toxoplasma gondii as a Potential Drug Target: In Silico Approach and Interaction Of Ganoderic Acid On HIV Related Target: Molecular Docking Studies.


Dr. Muchtaridi

CADD 2015 Speaker

Dr. Muchtaridi is a Lecturer in Department of Pharmaceutical Analysis and Medicinal Chemistry of Faculty of Pharmacy, Universitas Padjadjaran, Indonesia. He obtained his PhD from School of Pharmaceutical Sciences, Universiti Sains Malaysia in 2013 under the supervision of Prof. Dr. Habibah A. Wahab. His main research interest is drug discovery of natural products and that includes bio-guide assay isolation combining in silico i.e virtual screening and design against anti-breast cancer and anti-influenza. His current research is Potential activity of some natural products compounds as Neuraminidase inhibitors based on molecular docking simulation and in vitro test.


Dr. Choong Yee Siew

CADD 2015 Speaker

Dr. Choong joined Universiti Sains Malaysia as a lecturer and researcher upon received her PhD degree in pharmaceutical technology. Her primary field is structural bioinformatics with research emphasis on the modeling and structural studies of biomarkers from enteric and parasite diseases from the developing and under-developed countries. She has currently entered the field of antibody design, namely scFv design against the biomarkers that she is working on. Besides that, she is also interested to look into the effects of antibody optimization and maturation.



List of invited speakers

  • Dr. Choong Yee Siew, INFORMM, Universiti Sains Malaysia
  • Prof. Daryono H. Tjahjono, Bandung Institute of Technology
  • Prof. Dusanka Janezic , University of Primorska, Slovenia
  • Dr. Jutti Levita, Universitas Padjajaran
  • Dr. Ly Le, Ho Chi Minh International University, Vietnam
  • Prof. Mohd Basyaruddin, Universiti Putra Malaysia
  • Assoc. Prof. Mohd Nizam Mordi, Centre of Drug Reseach, Universiti Sains Malaysia
  • Dr. Muchtaridi, Universitas Padjajaran
  • Dr. Rozana Othman, University Malaya
  • Prof. Stephen Doughty, University of Nottingham Malaysia
  • Dr. Supat Jiranusornkul, Chiang Mai University, Thailand
  • Assoc. Prof. Dr. Vannajan Saghiran Lee, University Malaya
  • Dr. Yam Wai Keat, International Medical University





    INFORMM Hall,
    Institute for Molecular Medicine Research (INFORMM)
    Universiti Sains Malaysia (USM)


    Institute for Molecular Medicine Research (INFORMM)
    Universiti Sains Malaysia (USM)
    Jalan Inovasi,
    11800 Gelugor,
    Pulau Pinang, Malaysia



    Seminar = RM350
    Seminar + Workshop (Lectures + Case Studies*) = RM875
    Click here to download the registration form.

    Regarding the registration fee, it is now payable to: BENDAHARI UNIVERSITI SAINS MALAYSIA. For those who intend to pay via purchase order (PO), please send the PO to us not latest by 18th of November. For those who intend to pay with PO, please send the original PO to:
    Attn: Dr Ezatul Ezleen Kamarulzaman
    School of Pharmaceutical Sciences
    Universiti Sains Malaysia
    11800 Minden, Penang - Malaysia.

    We do accept on-site payment in both forms: CASH or CHEQUE

    *Case study participation is limited to 35 persons only and is on the basis of first come first serve.