Abstract
The essential oil of Ocimum species has been extensively used in traditional healthcare in India owing to its pharmacological importance. The popularly renowned ‘Tulsi’ plant is majorly comprised of phytoconstituents belonging to phenylpropanoid and terpenoid classes, albeit a significant variation exists in their proportions in the essential oil. Recent studies from researchers including from our group have defined major genes of phenylpropanoid as well as terpenoid pathways from transcriptomes. Despite transcriptomic resources available, structural information of pathway proteins in Ocimum species for mevalonate pathway (MVA) and 1-deoxy-d-xylulose 5-phosphate (DOXP) terpenoid pathways is limited. The structural information will be useful in defining the differential regulation of pathways in Ocimum species. The present study involved elucidation of molecular structures of proteins in relation to their roles in the control of the MVA pathway in two major species of Ocimum, viz. Ocimum basilicum (Ob) and Ocimum tenuiflorum (Ot). According to transcript analysis, the primary enzymes of the pathway are 3-hydroxy-3-methyl-glutaryl CoA reductase (HMGR) and farnesyl pyrophosphate synthase (FPPS). Structural studies revealed considerable differences in myristoylation and phosphorylation sites of HMGR and FPPS among the two Ocimum species. In both Ocimum species, distinct diversity in helix–helix and β-turns in the secondary structures of HMGR and FPPS proteins resulting in distinct folds, was noted. The presence of aspartate-rich FARM and SARM motif in FPPS was identified through presence of this distinct sequence. Specific amino acid Tyr/Phe at the key position was observed before the FARM motif, suggesting a crucial role in product specificity. Molecular interaction studies and biochemical assays may construe HMGR as a flux regulator for the MVA pathway in Ot. Moreover, docking and enzymatic analysis of FPPS with specific ligands interaction infer diverse product formation. Higher in silico expression supported by quantitative expression of MVA pathway genes in Ot and DOXP pathway gene in Ob showed differential terpenoid biosynthesis. The studies present an insight into the differential regulation of essential oil terpenoid content through participating pathways.
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Abbreviations
- AACT:
-
Acetoacetyl CoA thiolase
- CMK:
-
4-Cytidine 5′-diphospho-2-C-methyl-d-erythritol kinase
- DMAPP :
-
Dimethylallyl pyrophosphate
- DXR:
-
1-Deoxy-d-xylulose 5-phosphate reductoisomerase
- DXS:
-
1-Deoxy-d-xylulose 5-phosphate synthase
- FPP:
-
Farnesyl pyrophosphate
- FPPS:
-
Farnesyl pyrophosphate synthase
- GPP:
-
Geranyl pyrophosphate
- HMG-CoA:
-
3-Hydroxy-3-methyl glutaryl CoA
- HMGR:
-
3-Hydroxy-3-methyl-glutaryl CoA reductase
- HMGS:
-
3-Hydroxy-3-methyl glutaryl CoA synthase
- IPP:
-
Isopentenyl pyrophosphate
- MEP/DOXP:
-
2-C-methyl-d-erythritol 4-phosphate/1-deoxy-d-xylulose 5-phosphate
- MVA:
-
Mevalonic acid
- MVK:
-
Mevalonate kinase
- Ob :
-
Ocimum basilicum
- Ot :
-
Ocimum tenuiflorum
- PMD:
-
Phosphomevalonate decarboxylase
- PMK:
-
Phosphomevalonate kinase
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NSS is thankful to Research Grants from CSIR-Network Projects BSC 0203, BSC0107, and HCP007. MC is thankful to UGC for the award of the Fellowship.
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NSS planned the study and experiments. MC performed major experiments, compilation of data, and prepared the draft manuscript. MC, BM and SK are involved in wet lab validation. MC wrote, NSS edited the MS, all authors have gone through the ms.
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10725_2022_796_MOESM2_ESM.pptx
Supplementary file2 (PPTX 1277 kb) Supplementary Fig. 1 a Seedlings of O. basilicum and O. tenuiflorum. b Mature plants of O. basilicum and O. tenuiflorum. c Actin PCR amplification of prepared cDNA from different developmental stages of Ocimum species. Supplementary Fig. 2 Predicted 3D structure of MVA pathway enzymes in O. basilicum (Ob) and O. tenuiflorum (Ot). Yellow color highlights the helix in the structures, and strands are marked by purple color and coils are shown by cyan color. PDB ID used for predicting homology models, (PDB 409A) for AACT (acetoacetyl CoA thiolase), (PDB 2F82) for HMGS (3-hydroxy-3-methyl glutaryl CoA synthase), (PDB 1DQA) for HMGR (3-hydroxy-3-methyl glutaryl CoA reductase), (PDB 2R3V) for MVK (mevalonate kinase), (PDB 3D4J) for PMD (diphosphomevalonate decarboxylase), and (PDB 4KK2) for FPPS (farnesyl pyrophosphate synthase). Supplementary Fig. 3 Superimposition of models. The superimposed O. basilicum with O. tenuiflorum with their respective templates. Blue color shows the template, O. basilicum and O. tenuiflorum are shown with brown and pink color. AACT acetoacetyl CoA thiolase, HMGS 3-hydroxy-3-methyl glutaryl CoA synthase, HMGR 3-hydroxy-3-methyl glutaryl CoA reductase, MVK mevalonate kinase, PMK phosphomevalonate kinase, PMD diphosphomevalonate decarboxylase, FPPS farnesyl pyrophosphate synthase. Supplementary Fig. 4 3D representation of binding pockets of FPPS with substrates (IPP and DMAPP). A Ob IPP, B Ob DMAPP, C Ob IPP and DMAPP, D Ot IPP, E Ot DMAPP, and F Ot IPP and DMAPP
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Chandra, M., Kushwaha, S., Mishra, B. et al. Molecular and structural insights for the regulation of terpenoids in Ocimum basilicum and Ocimum tenuiflorum. Plant Growth Regul 97, 61–75 (2022). https://doi.org/10.1007/s10725-022-00796-y
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DOI: https://doi.org/10.1007/s10725-022-00796-y