03280nam a22003137a 4500003000800000005001700008006001900025007000300044008004100047020003300088040002700121100003800148245010500186264003600291264001200327300003600339336002100375337002500396338002300421347002400444500005000468502013600518504003800654520208300692610006502775650004502840650003702885856004402922MY-KuUP20260126162736.0t||||fs|||| 000 0 ta260126t20252025my a|||fs|||| 000 0 eng d  aTHE0010319 (Local)qHardback  aUMPSAbengcUMPSAerda0 aNurul Afiqah Binti Azfi,eauthor.10aIn silico characterizationof selected orchids’ sesquiterpene synthases  /cNurul Afiqah Binti Azfi 1aKuantan, Pahang :bUMPSA,c2025 4c© 2025  axv, 96 pages :billustrations ;  2rdacontentatext  2rdamediaaunmediated  2rdacarrieravolume  2rdaatext filebPDF  aFaculty of Industrial Sciences and Technology  aFinal Year Report (Bachelor of Applied Science in Industrial Biotechnology) -- Universiti Malaysia Pahang Al-Sultan Abdullah - 2025  aInclude bibliographical reference3 aThe structural and functional characterization of sesquiterpene synthases (STSs), which  are essential enzymes in the biosynthesis of terpenoid compounds, is still lacking,  especially in orchids. Using computational techniques like as molecular docking and  homology modeling, this study fills the information gap by forecasting the ligand-binding  processes and three-dimensional structures of six representative orchid STSs. The Vanda  Mimi Palmer STS achieved 100% sequence identity in BLASTp analysis, and other  important proteins examined include sesquiterpene synthases from Vanda Mimi Palmer,  Vanda Small Boy Leong, and Phalaenopsis equestris. Phylogenetic studies have shown  that orchid STSs are evolutionarily maintained and distinct from their non-orchid  counterparts due to their diversification within the Orchidaceae family. SWISS-MODEL,  Phyre, and BLAST-PDB were used for homology modeling, which determined that  7XKW was the best template because of its high sequence identity (up to 45%) and  structural significance. ERRAT, PROCHECK, and VERIFY 3D quality evaluation  verified SWISS-MODEL's excellence in producing dependable, stereochemically  accurate models. At conserved active regions (R1 and R2), molecular docking  experiments demonstrated substantial binding affinities for important ligands including  farnesyl pyrophosphate (S1) and germacrene D (P1). Other ligands, such as linalool and  ocimene, showed lesser affinities, whereas these ligands showed consistent binding  patterns and interactions that are essential for sesquiterpene production. The results offer  a thorough comprehension of the structural characteristics and enzymatic processes of  orchid STSs. This study lays the groundwork for future experimental verification,  supporting the investigation of STS functionality and biotechnology applications,  specifically in terpenoid synthesis and scent generation. The work highlights how in silico methods may be used to advance structural biology and uncover the secondary  metabolites found in plants' biotechnological potential20aFaculty of Industrial Sciences and TechnologyxDissertations 0aUniversities and collegesxDissertations 0aFinal Year ReportxDissertations  uhttp://umpir.ump.edu.my/id/eprint/45697