TY  - BOOK
AU  - Nurul Afiqah Binti Azfi,
TI  - In silico characterizationof selected orchids’ sesquiterpene synthases
SN  - THE0010319 (Local)
PY  - 2025///
CY  - Kuantan, Pahang
PB  - UMPSA
KW  - Faculty of Industrial Sciences and Technology
KW  - Dissertations
KW  - Universities and colleges
KW  - Final Year Report
N1  - Faculty of Industrial Sciences and Technology; Final Year Report (Bachelor of Applied Science in Industrial Biotechnology) -- Universiti Malaysia Pahang Al-Sultan Abdullah - 2025; Include bibliographical reference
N2  - The 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 potential
UR  - http://umpir.ump.edu.my/id/eprint/45697
ER  -