Neni Frimayanti, Sharifuddin M. Zain, Vannajan Sanghiran Lee, Habibah A. Wahab, Rohana Yusof and Noorsaadah Abd. Rahmana,∗ Department of Chemistry, Faculty of Science, University of Malaya Lembah Pantai, Kuala Lumpur, Malaysia Computational Simulation and Modeling Laboratory, Department of Chemistry and Center for Innovation in Chemistry, Chiang Mai University, Bangkok, Thailand Pharmaceutical ...