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Faculty : School of Bio-Chemical Engineering and Technology (BCET)
Name : Dr. Luckhana Lawtrakul (Associate Professor)
Position : Associate Professor
E - Mail : luckhana@siit.tu.ac.th
Phone Rangsit : +66 (0) 2986 9009, 2986 9101, 2564 3226
Phone Bangkadi :
Phone Extension : 1809
 
Education
  • B.Sc. in Chemistry, Kasetsart University, Thailand
  • M.Sc. in Physical Chemistry, Kasetsart University, Thailand
  • Dr.rer.nat. in Theoretical Biochemistry, University of Vienna, Austria
Academic Awards
  • 2007 Best Teaching Award, Sirindhorn International Institute of Technology.
  • Research Award, 2001, National Research Council of Thailand (NRCT).
  • Post Doctoral Scholarship, University of Vienna, 2001.
  • 1997 Outstanding Thesis Award, Kasetsart University.
  • Development and Promotion of Science and Technology Talents Project (DPST) Scholarship, 1987-2000.
Research Areas
    Computer-aided molecular modeling and molecular design, Structure-activity relationships, Conformational analysis.
Research Interests
    Molecular modeling is a collective term that refers to theoretical methods and computational techniques to model or mimic the behavior of molecules. The techniques are used in the fields of computational chemistry and computational biology for studying molecular systems ranging from small chemical systems to large biological molecules. Currently applications in the following areas are of special concern: Molecular dynamics (MD) simulations and quantum chemical calculations on the stability of guest-cyclodextrins inclusion complexes, Quantitative structure-perperty relationship (QSPR) studies of inclusion complexes of various guests with cyclodextrins.
Theses Supervised

Master Thesis Supervised

Current: Dujthep Yodmalai. Application of Crystallization Material for Concrete Repair.
Current: Sappakit Amonamarittakul. Study on Basic Properties of Fly Ash and Properties of Concrete Containing Different Types of Fly Ash.
Current: Ratchaneekon Chingchit. Nanoencapsulation of Antiviral Agents by Cyclodextrins; Molecular Modeling Approaches.
Current: Pimonluck Sittikornpaiboon. Molecular Modeling Investigations of Inhibitors Binding to M. tuberculosis Dihydrofolate Reductase.

Doctoral Thesis Supervised

Current: Kanokthip Boonyarattanakalin. Computational Studies on the Stability of Drug-Cyclodextrin Inclusion Complexes: Solvation Studies Using Molecular Dynamics Simulations.
 
Work Experiences
  • 2002-Present: SIIT
  • 2000-2001: Postdoctoral Fellow, Institute of Pharmaceutical Technology, Institute for Theoretical Chemistry and Structural Biology, University of Vienna, Austria
  • 1998-1999: Research and Teacher Assistant, Institute for Theoretical Chemistry and Structural Biology, University of Vienna, Austria
  • 1997-2000: International Research (NRCT-FWF), Cooperation between Kasetsart University (Thailand) and University of Vienna (Austria)
List of Publications

International Journal Publications

  1. Boonyarattanakalin, K., Wolschann, P., Toochinda, P., Lawtrakul, L. Molecular dynamics simulations of UC781-cyclodextrins inclusion complexes in aqueous solution (2012) European Journal of Pharmaceutical Sciences, 47 (4), pp. 752-758.
  2. Boonyarattanakalin, K.S., Wolschann, P., Lawtrakul, L. Molecular dynamics of β-CD in water/co-solvent mixtures (2011) Journal of Inclusion Phenomena and Macrocyclic Chemistry, 70 (3-4), pp. 279-290.
  3. Yodmalai, D., Sahamitmongkol, R., Tangtermsirikul, S., Lawtrakul, L. Carbonation resistance of concrete with crystalline material coating (2011) Magazine of Concrete Research, 63 (8), pp. 573-582.
  4. Prakasvudhisarn, C., Wolschann, P., Lawtrakul, L. Predicting complexation thermodynamic parameters of β-cyclodextrin with chiral guests by using swarm intelligence and support vector machines (2009) International Journal of Molecular Sciences, 10 (5), pp. 2107-2121.
  5. Prakasvudhisarn, C., Lawtrakul, L. Feature set selection in QSAR of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio) thymine (HEPT) analogues by using swarm intelligence (2008) Monatshefte fur Chemie, 139 (3), pp. 197-211.
  6. Lawtrakul, L., Hannongbua, S. Molecular dynamics study on the unbinding of HBY 097 in the K103N mutant RT (2007) Monatshefte fur Chemie, 138 (10), pp. 1029-1034.
  7. Beyer, A., Lawtrakul, L., Pungpo, P., Wolschann, P. Structural aspects of non-nucleoside HIV-1 reverse transcriptase inhibition (2007) Current Computer-Aided Drug Design, 3 (2), pp. 87-100.
  8. Lawtrakul, L., Prakasvudhisarn, C. Correlation studies of HEPT derivatives using swarm intelligence and support vector machines (2005) Monatshefte fur Chemie, 136 (9), pp. 1681-1691.
  9. Lawtrakul, L., Beyer, A., Hannongbua, S., Wolschann, P. Quantitative Structural Rearrangement of HIV-1 reverse transcriptase on binding to non-nucleoside inhibitors (2004) Monatshefte fur Chemie, 135 (8), pp. 1033-1046.
  10. Beyer, A., Lawtrakul, L., Hannongbua, S., Wolschann, P. Systematic investigation of non-nucleoside inhibitors of HIV-1 reverse transcriptase (NNRTIs) (2004) Monatshefte fur Chemie, 135 (8), pp. 1047-1059
  11. Lawtrakul, L., Viernstein, H., Wolschann, P. Molecular dynamics simulations of β-cyclodextrin in aqueous solution (2003) International Journal of Pharmaceutics, 256 (1-2), pp. 33-41.
  12. Hannongbua, S., Nivesanond, K., Lawtrakul, L., Pungpo, P., Wolschann, P. 3D-Quantitative Structure-Activity Relationships of HEPT Derivatives as HIV-1 Reverse Transcriptase Inhibitors, Based on Ab Initio Calculations (2001) Journal of Chemical Information and Computer Sciences, 41 (3), pp. 848-855.
  13. Ecker, G., Kalchhauser, H., Lawtrakul, L., Wolschann, P. Levcromakalim revisited: NMR spectroscopic and theoretical investigations (2001) Monatshefte fur Chemie, 132 (3), pp. 373-386.
  14. Klein, C.Th., Lawtrakul, L., Hannongbua, S., Wolschann, P. Accessible charges in structure-activity relationships. A study on HEPT- based HIV-1 RT inhibitors (2000) Scientia Pharmaceutica, 68 (1), pp. 25-40.
  15. Lawtrakul, L., Hannongbua, S., Beyer, A., Wolschann, P. Molecular calculations on the conformation of the HIV-1 reverse transcriptase inhibitor 1-((2-Hydroxyethoxy)methyl)-6-(phenylthio)thymine (HEPT) (1999) Monatshefte fur Chemie, 130 (11), pp. 1347-1363.
  16. Lawtrakul, L., Hannongbua, S. Quantitative structure-activity relationships of HIV-1 RT inhibitors in the class of 1-[(2-hydroxyethoxy)methyl]-5,6-substituted thymine [HEPT] analogues (1999) Scientia Pharmaceutica, 67 (1), pp. 43-56.
  17. Lawtrakul, L., Hannongbua, S., Beyer, A., Wolschann, P. Conformational study of the HIV-1 reverse transcriptase inhibitor 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT) (1999) Biological Chemistry, 380 (2), pp. 265-267.
  18. Hannongbua, S., Lawtrakul, L., Limtrakul, J. Structure-activity correlation study of HIV-1 inhibitors: Electronic and molecular parameters (1996) Journal of Computer-Aided Molecular Design, 10 (2), pp. 145-152.
  19. Hannongbua, S., Lawtrakul, L., Sotriffer, C.A., Rode, B.M. Comparative molecular field analysis of HIV-1 reverse transcriptase inhibitors in the class of 1[2-hyddroxyethoxy)-methyl]-6(phenylthio)thymine (1996) Quantitative Structure-Activity Relationships, 15 (5), pp. 389-394.

International Conferences

  1. Inthajak, K., Toochinda, P., Lawtrakul, L. “Theoretical study on the molecular encapsulation of Thai sweet basil essential oils by β-cyclodextrin” the 17th International Annual Symposium on Computational Science and Engineering (ANSCSE17); March 27-29, 2013; Khon Kaen, Thailand.
  2. Sittikornpaiboon, P., Toochinda, P., Lawtrakul, L. “Molecular Modeling Investigations of Inhibitors Binding to M. Tuberculosis Dihydrofolate Reductase” the 17th International Annual Symposium on Computational Science and Engineering (ANSCSE17); March 27-29, 2013; Khon Kaen, Thailand.
  3. Roekmongkol, W., Wisarnmetinee, J., Lawtrakul, L. “Molecular Modeling Investigations of Eugenol-Cyclodestrins Inclusion Complexes” Pure and Applied Chemistry International Conference (PACCON2013); January 23-25, 2013; Chon Buri, Thailand.
  4. Theawthua, P., Poocharoen, S., Lawtrakul, L. “Theoretical Study of Santalol with β-Cyclodextrin Inclusion Complexes” Pure and Applied Chemistry International Conference (PACCON2013); January 23-25, 2013; Chon Buri, Thailand.
  5. Kamolvarin, R., Pisudchaikul, M., Jariyapaktikorn, S. Lawtrakul, L. “Molecular Modeling Investigation 0f Inhibitors Binding To HIV-1 Reverse Transcriptase” Pure and Applied Chemistry International Conference (PACCON2013); January 23-25, 2013; Chon Buri, Thailand.
  6. Toochinda, P., Lawtrakul, L. “Theoretical study on the molecular encapsulation of Thai sweet basil essential oils by β-cyclodextrin” The 16th International Cyclodextrins Symposium (ICS16); May 6-10, 2012; Tianjin, P.R. China.
  7. Boonyarattanakalin, K., Wolschann, P., Toochinda, P., Lawtrakul, L. “Molecular dynamics simulations of UC781-cyclodextrins inclusion complexes in ethanol-water solution systems” The 16th International Cyclodextrins Symposium (ICS16); May 6-10, 2012; Tianjin, P.R. China.
  8. Chingchit, R., Lawtrakul, L. “Nanoencapsulation of antiviral agent by cyclodextrins: molecular modeling approach” Pure and Applied Chemistry International Conference (PACCON2012); January 11-13, 2012; Chiang Mai, Thailand.
  9. Sittikornpaiboon, P., Lawtrakul, L. “Prediction of the interaction of M. Tuberculosis dihydrofolate reductase and its antifolates through molecular modeling approach” Pure and Applied Chemistry International Conference (PACCON2012); January 11-13, 2012; Chiang Mai, Thailand.
  10. Baingam, L., Lawtrakul, L., Saengsoy, W., Sirisawat, I., Tangtermsirikul, S. “Study on mechanism of magnesium sulfate attack on hardened cementitious systems by using computation methods” Pure and Applied Chemistry International Conference (PACCON2012); January 11-13, 2012; Chiang Mai, Thailand.
  11. Sitthikornkul, L., Purpiriyapan, P., Tantisuk, S., Lawtrakul, L. “Encapsulation of Thai basil essential oil by cyclodextrins: Molecular inclusion complexes investigation” Pure and Applied Chemistry International Conference (PACCON2011); January 5-7, 2011; Bangkok, Thailand.
  12. Pornthanakasem, W., Leartsakulpanich, U., Kongkasuriyachai, D., Ittarat, W., Boonyarattanakalin, K. S., Lawtrakul, L. “Molecular modeling investigations of inhibitors binding to M. tuberculosis dihydrofolate reductase” Pure and Applied Chemistry International Conference (PACCON2011); January 5-7, 2011; Bangkok, Thailand.
  13. Boonyarattanakalin, K. S., Wolschann, P., Lawtrakul, L. “Structural characterization of beta-cyclodextrin in aqueous alcoholic solutions by molecular dynamics simulations” The 15th International Cyclodextrins Symposium (CD 2010); May 9-12, 2010; Vienna, Austria.
  14. Boonyarattanakalin, K. S., Wolschann, P., Lawtrakul, L. “Molecular dynamics simulations of beta-cyclodextrin in aqueous solution and in the presence of alcohol” Pure and Applied Chemistry International Conference (PACCON2010); Ubonratchathani, January 21-23, 2010; Ubonratchathani University, Thailand.
  15. Boonyarattanakalin, K. S., Klomjitr, A., Phatravinij, D., Krutkhuntode, K., Pimantape, P., Lawtrakul, L. “Molecular modeling of inclusion complexes of non-nucleoside reverse transcriptase inhibitors with beta-cyclodextrin” Pure and Applied Chemistry International Conference (PACCON2010); Ubonratchathani, January 21-23, 2010; Ubonratchathani University, Thailand.
  16. Boonyarattanakalin, K. S., Lawtrakul, L. “Theoretical calculations of vibrational spectrum and conformational analysis of bis(2-hydroxyphenyl)methane” Pure and Applied Chemistry International Conference (PACCON2010); Ubonratchathani, January 21-23, 2010; Ubonratchathani University, Thailand.
  17. Lawtrakul, L., Wolschann, P., Prakasvudhisarn, C., “Quantitative structure-thermodynamics parameters relationship of beta-cyclodextrin inclusion complexes” Pure and Applied Chemistry International Conference (PACCON2009) pp. 476-479; Phitsanulok, January 14-16, 2009; Naresuan University, Thailand.
  18. Lawtrakul, L., Wolschann, P., Prakasvudhisarn, C., “Predicting complexation thermodynamics of β-cyclodextrin with enantiomeric pairs of chiral guests by using swarm intelligence and support vector machines” The 14th International Cyclodextrins Symposium (CD 2008); May 8-11, 2008; pp.421-424, Kyoto, Japan.
  19. Opaprakasit, P., Lawtrakul, L. “Intra-molecular hydrogen bonding in calixarene-like structures of phenolic resins: phenolic analogue models” Pure and Applied Chemistry International Conference (PACCON 2008); January 30 - February 1, 2008; pp.675-680, Bangkok, Thailand.
  20. Prakasvudhisarn, C., Lawtrakul, L. “Particle swarm optimization in quantitative structure-activity relationship of anti-HIV HEPT analogues” Pure and Applied Chemistry International Conference (PACCON 2008); January 30 - February 1, 2008; pp.98-103, Bangkok, Thailand.
  21. Lawtrakul, L. “Molecular dynamics simulations of K103N mutant reverse transcriptase” International Conference on Engineering, Applied Sciences, and Technology (ICEAST 2007), Bangkok, Thailand, November 21- 23, 2007
 
 
 
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