Prof. Anwar Rayan
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- Phone: +97246286764
- Fax: +97246286762
- Email: a_rayan@qsm.ac.il
- Room Number: room number 504, Qasemi Research Center bld.
- Address: Drug Discovery Informatics Lab, Qasemi Research Center, Al-Qasemi Academic College, P.O. Box 124, Baqa El-Gharbia, 30100, Israel.
- Academic Unit: Science Department- Qasemi Research Center
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The Laboratory of Drug Discovery Informatics headed by Prof. Anwar Rayan develops/employs algorithms and computer techniques for drug design and structural/functional biology studies. We are focused on sequence-structural analysis of proteins, protein-protein/ protein-ligand interactions and ADME/Tox predictions. All project lines are characterized either by own verification or by close cooperation with experimental partners within the Qasemi Research Center, Academy and/or Industry to ensure a closed loop between theoretically derived model and experimental proof. Such strategy is an important prerequisite for success.
The Laboratory of Drug Discovery Informatics headed by Prof. Anwar Rayan develops/employs algorithms and computer techniques for drug design and structural/functional biology studies. We are focused on sequence-structural analysis of proteins, protein-protein/ protein-ligand interactions and ADME/Tox predictions. All project lines are characterized either by own verification or by close cooperation with experimental partners within the Qasemi Research Center, Academy and/or Industry to ensure a closed loop between theoretically derived model and experimental proof. Such strategy is an important prerequisite for success.
Structure based drug design
Indexing of molecular bioactivity by chemo-informatics techniques
Multi Component Reactions (MCRs) and design of focused libraries
Modeling of protein 3D structures and GPCRs
Modeling of conformations of large loops and multiple loops
Ligand docking to proteins
Identification of bioactive natural compounds from plants
- Prof. Amiram Goldblum, Molecular Modeling and Drug Design Lab and the Alex Grass Center for Drug Design and Synthesis, Institute of Drug Research, The Hebrew University of Jerusalem 91120.
- Prof. Salvatore Guccione, Department of Chemical Sciences- University of Catania- V.le A. Doria 6, I-95125 Catania, Italy.
- Prof. Holger Stark, Chemie Institut Pharmazeutische, Goethe-Universitaet Johann Wolfgang, Frankfurt am Main 60438, Germany.
- Prof. Abd Al-Roof Higazi , head of Department of Clinical Biochemistry, Hebrew University - Hadassah Medical Center, Jerusalem.
- Prof. Samir Droby, Volcani Center, Bet Dagan 50-250.
- Dr. Ahmed Nasser, Institute of Soils, Water and Environmental Sciences, ARO, Volcani Center, Bet Dagan 50-250.
- Dr. Ahmed Yazbak, Center of Research, The Galilee Society, Shfar-Am.
- Collaborations with Prof. Mohamed Zidan, Prof. Bashar Saad, Dr. Mahmoud Massalha and Dr. Hilal Zaid from QRC – Qasemi Research Center, Al-Qasemi College.
- RAND Biotechnologies LTD.
- Synthatex Fine Chemicals Ltd.
Mrs. Siba Shdafnay (Medicinal Chemistry, Ph.D. Student)
Mr. Hafiz Mawasi (M.Sc. of medicinal chemistry, Ph.D. Student)
Mr. Nir Shachaf (M.Sc. Bioinformatics, Ph.D. Student)
Mr. Azmi Adawi (M.Sc. Biology, Ph.D. Student)
Mr. Sleman Kadan (Ph.D. student, Chemistry)
Publications in peer reviewed journals
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2015
- Jamal Raiyn, and Anwar Rayan. (2015). How Chemicals’ Drawing and Modeling Improve Chemistry Teaching in Colleges of Education. World Journal of Chemical Education 3, 1: 1-4. doi: 10.12691/wjce-3-1-1.
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2014
- Matteo Pappalardo, NirShachaf, Livia Basile, Danilo Milardi, Mouhammed Zeidan, Jamal Raiyn, Salvatore Guccione and AnwarRayan. (2014). Sequential application of ligand and structure based modeling approaches to index chemicals for their hH4R Antagonism. PLoS ONE 9(10): e109340. doi:10.1371/journal.pone.0109340.
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2013
- Anwar Rayan, Mizied Falah, Jamal Raiyn, Beny Da'adoosh, Sleman Kadan, Hilal Zaid and Amiram Goldblum. "Implication of ISE for indexing molecules for their hERG liability". European Journal ofMedicinal Chemistry. 65: 304-314, (2013).
- Anwar Rayan. "Glimpse into GPCRs: a 'hot topic' for both academia and industry". International Journal of Computational Bioinformatics and In Silico Modeling 2, 4: 138-140, (2013).
- Sleman Kadan, Mahmoud Rayan and Anwar Rayan. " Anticancer activity of Anise (Pimpinella anisum L.) seed extract", The Open Nutraceuticals Journal. 6: 1-5, (2013).
- Or Kakhlon, Hava Glickstein, Naomi Feinstein, Hasan Orhan Akman, Salvatore DiMauro, Amit Michaeli, Anwar Rayan, Tamar R. Grossman, Leonardo Solmesky, Miguel Weil, Dima Kozakov, Alexander Lossos, "Searching for efficient therapeutic avenues to treat Adult Polyglucosan Body Disease (APBD) and Lafora Disease (LD) using a High-Throughput Screening platform." In HUMAN GENE THERAPY, vol. 24, no. 3, pp. A10-A11. (2013).
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2012
- Hilal Zaid, Siba Ismael, Amit Michaeli and Anwar Rayan. "Computerized modeling techniques predict the 3D structure of H4 receptor: facts and fiction", Frontiers in Bioscience. 17, 1: 232-247, (2012).
- Jamal Raiyn, Mohammed Azab, Mahmud Masalha and Anwar Rayan (2012). “Tips for loop prediction and conformational search”. Journal of Bioinformatics & Research. 1, 4: 41-45.
- M. Falah, M. Azab, S. Shdafnay, A. Michaeli and A. Rayan. "Silencing human H4R gene by novel triplex-forming molecule", Inflammation Research. 61 (Suppl 2): S52-S53, (2012).
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2011
- Oleg Ursu, Anwar Rayan, Amiram Goldblum, Tudor I. Oprea. "Understanding drug-likeness". WIREs Computational Molecular Science. Volume 1, Issue 5, 760–781 (Sep/Oct 2011).
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2010
- Anwar Rayan, David Marcus and Amiram Goldblum. "Predicting Oral Drug-likeness by Iterative Stochastic Elimination". J Chem Inf Model. 22; 50(3): 437-45 (2010).
- Rami Abu Fanne, Taher Nassar, Sergey Yarovoi, Anwar Rayan, Itschak Lamensdorf, Michael Karakoveski, Polianski Vadim, Mahmud Jamal, Douglas B. Cines and Abd Al-Roof Higazi. "Blood brain barrier permeability and tPA-mediated neurotoxicity". Neuropharmacology, 58(7): 972-80 (2010).
- Anwar Rayan, "New vistas in GPCR 3D structure prediction", J Mol Model, 16(2): 183-191 (2010).
- Anwar Rayan, Mizied Falah, Hafiz Mawasi and Nur-Eldin Raiyn. "Assessing drugs for their cardio-toxicity". Letters in Drug Design & Discovery 7(6):409-414 (2010).
- Hilal Zaid, Jamal Raiyn, Ahmed Nasser, Bashar Saad and Anwar Rayan (2010). "Physicochemical Properties of Natural Based Products versus Synthetic Chemicals". 3: 194-202 (2010).
- Hilal Zaid, Anwar Rayan, Omar Said and Bashar Saad (2010). "Cancer Treatment by Greco-Arab and Islamic herbal medicine". 3: 203-212 (2010).
- Anwar Rayan, "The utility of Intelligent Learning Engine in Drug Discovery Informatics", Proceedings of the British Pharmacological Society, 7(4): 26 (2010).
- Salvatore Guccione, Chiara Platania, Nir Shachaf, Danilo Milardi, Matteo Pappalardo and Anwar Rayan. "Is it possible to increase hit rates in virtual screening by multiple focusing? Indexing chemicals for their H4R antagonism", Inflamm. Res. 59 (S4): S351-352 (2010).
- Anwar Rayan. "Indexing drugs for their cardio-toxicity", Inflamm. Res. 59 (S4): S357-358 (2010).
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2009
- Mizied Falah, Taher Nassar and Anwar Rayan, "A Simple Approach for Discriminating 'Cardio-safe' drugs from Non-safe ones". Bioinformation 3(9), 389-393 (2009).
- Anwar Rayan, "New Tips for Structure Prediction by Comparative Modelling", Bioinformation, 3(6), 263-267 (2009)
- Anwar Rayan, Mohamed Hegaze and Jamal Raiyn, "How Much Bovine Rhodopsin Crystal Structure is Useful for Modeling Human GPCRs? B2-Adrenergic Receptor as a Test Case", Proceedings of biosignals 2009, 291-298 (2009).
- Jamal Rayan and Anwar Rayan, "How Much Sequence Identity Guarantee Good Models in Homology Modeling: Proteins from Serine Protease Family as a Test Case", Proceedings of biosignals 2009, 455-458 (2009).
Publications in peer reviewed journals
- J. Raiyn, S. Shadafny, Anwar Rayan, "Natural products' databases as a preferred source for drug development", European Histamine Research Society 44th Annual Meeting, Malaga, Spain, May 6th-9th, 2015. (oral presentation).
- Anwar Rayan, "Sequential application of ligand & structure based modelling approaches to index chemicals for their bioactivity: hH4R antagonism as a test case", European Histamine Research Society 44th Annual Meeting, Malaga, Spain, May 6th-9th, 2015. (oral presentation).
- Anwar Rayan, "Utility of ISE & ILE in drug discovery",MODENA COST Action meeting under the title“Nanosafety forum for young scientists”, Siracusa, Italy, October 10th -11th, 2014.
- Anwar Rayan, "Computerized techniques for drug discovery", School of Pharmacy, University of Catania, Catania, Italy (invited by Prof. Salvatore Guccione), February 9th, 2014.
- Anwar Rayan, "Indexing Chemicals for their Bioactivity on GPCRs by Ligand-Structural Combined Approach", TM’s 3rd World Molecular & Cell Biology Online Conference, (invited speaker and chairing Session 9: GPCR structure and function), 25th-28th Feb 2014.
- Anwar Rayan, "Aspects on delivery of PNA based oligonucleotides",Workshop on Delivery for COST Action BM1207, September 25-26, 2013, Leiden, Netherlands.
- Azmi Adawi, Sleman Kaadan, Holger Stark and Anwar Rayan, "Natural chemicals influencing the hH4R", COST BM0806 Final Conference, March 21-23, 2013, Athens, Greece.
- Matteo Pappalardo, Danilo Milardi, Anwar Rayan, Nir Shachaf, Livia Basile, Salvatore Guccione, "Compounds Repositioning to H4 Antagonists Combining in-silico Approaches", COST BM0806 Final Conference, March 21-23, 2013, Athens, Greece
- Anwar Rayan, “Silencing human H4R by novel major groove double stranded DNA binders”, COST BM0806: Strategic Meeting, 23-24 June 2012, Copenhagen DK.
- Mizied Falah, Mohammed Azab, Amit Michaeli and Anwar Rayan, “Silencing hH4R Gene by Novel Triplex-Forming Molecule”, European Histamine Research Society 41st Annual Meeting, (Oral presentation), 2-5 May 2012, Belfast – Northen Ireland, UK.
- Anwar Rayan, "GeneArrest novel technology pave the way for the next generation of drugs", The 1st annual BioInvest Israel 2012 partnering conference, (Oral presentation), March 5-6, 2012.
- Anwar Rayan, "A Combined Virtual Screening Approach for Discovery of hH4R Antagonists", 2012 World GPCR Online Symposium, (invited speaker), October 1, 2012 – October 2, 2012.
- Anwar Rayan and Amiram Goldblum, "Assessing chemicals for their drug-likeness and safety by ISE", TM’s 2nd world drug discovery online conference, (Oral presentation), October 16-18, 2012.
- Anwar Rayan, "New Tips for GPCR 3D Structure Prediction", 2012 World GPCR Online Symposium, (invited speaker), Apr 9, 2012 – Apr 10, 2012.
- Anwar Rayan, David Marcus and Amiram Goldblum, "Predicting Oral DrugLikeness", ADME & Predictive Toxicology, 13-14 March 2012, Munich, Germany.
- Hafiz Mawasi, Azmi Adawi, Jamal Raiyn, Walaa Haj-Yehia, Rawan Badawi and Anwar Rayan, "Novel technique for design of MCR Libraries for Drug Discovery", The 77th Israel Chemical Society Conference at the Kfar Maccabiah Convention Center in Ramat Gan on February 7-8, 2012.
- Nir Schachaf, Salvatore Guccione, Danilo Milardi, Matteo Pappalardo and Anwar Rayan, "Combined approach for increasing hit rates of hH4R antagonists in virtual screening", The 77th Israel Chemical Society Conference at the Kfar Maccabiah Convention Center in Ramat Gan on February 7-8, 2012.
- Chiara B.M. Platania, Matteo Pappalardo, Danilo Milardi, Salvatore Guccione and Anwar Rayan, " New Insights into the Human Histaminergic Type 4 Receptor (HRH4): Increasing HIT Rates of Antagonist", Membrane Proteins: Structure and Function MGMS Spring Meeting, 6-8 April 2011, University of Oxford, UK.
- G. Boursheh, D. Marcus, A. Rayan and A. Goldblum, " Multitargeting in Alzheimer's disease: from in silico design of secretase inhibitors to in-vivo experiments", The 9th International Conference on Chemical Structures, June 5-9, 2011, Noordwijkerhout, Netherlands.
- Anwar Rayan (2010) Indexing drugs for their cardio-toxicity. XXXIXth Annual Meeting, 13th-16th July 2010, Durham, England. Oral Communication.
- Salvatore Guccione, Chiara Platania, Nir Shachaf, Danilo Milardi, Matteo Pappalardo and Anwar Rayan (2010). Is it possible to increase hit rates in virtual screening by multiple focusing? Indexing chemicals for their H4R antagonism (2010). XXXIXth Annual Meeting, 13th-16th July 2010, Durham, England. Oral Communication.
- Anwar Rayan, The utility of intelligent learning engine in drug discovery informatics, BPS winter meeting 2009, 14-16 December, London, UK. Oral Communication.
- D. Marcus, D. Barasch, A. Rayan and A. Goldblum, Visualizing polypharmacology in chemical libraries, The 239th ACS National Meeting, San Francisco, Spring, 2010. Chemical Information Bulletin Vol. 62(1) Spring 2010, page 53.
- D. Marcus, D. Barasch, A. Rayan, A. Goldblum, Picking novel actives from large databases using a combined ranking method, The 239th ACS National Meeting, San Francisco, Spring, 2010. Chemical Information Bulletin Vol. 62(1) Spring 2010, page 68.
- Anwar Rayan, The utility of intelligent learning engine for discovering novel H4 antagomists, International COST action workshop – BM0806 – WG4, October 6, 2009, Johann Wolfgang Goethe-University, Frankfurt am Main, Germany. Oral Communication.
- Anwar Rayan, Jamal Raiyn and Mohamed Hegaze, How much bovine Rh crystal structure is useful for modeling human GPCRs? - beta2-Adrenergic Receptor as a Test Case, Biosignals 2009, 14-17 Jan 2009, Porto – Portugal.
- Anwar Rayan and Jamal Raiyn, How much sequence identity guarantee good models in homology modeling - Proteins from Serine Protease Family as a Test Case? Biosignals 2009, 14-17 Jan 2009, Porto – Portugal.
- Amiram Goldblum, David Marcus and Anwar Rayan, "Forming focused libraries and discovering active molecules with iterative stochastic elimination", Workshop Optimizing Drug Design, 20-23 July 2009, Lorentz Center, Leiden, Netherlands.
- Beata Flachner, Zsolt Lorincz, David Marcus, Anwar Rayan, Amiram Goldblum, Orazio Nicolotti, Angelo Carotti, Jordi Mestres, Miklos Szabo, Bela Bertok, Istvan Bagyi, Sandor Cseh and Gyorgy Dorman, “High throughput screening of 30,000 diverse small molecules for the discovery of tumor cell specific cytotoxic agents: Results and structural analysis,” Joint Meeting on Medicinal Chemistry, Budapest, Hungary, June 24-27, 2009.
