Molecular modeling of Bt Cry1Ac (DI–DII)–ASAL (Allium sativum lectin)–fusion protein and its interaction with aminopeptidase N (APN) receptor of Manduca sexta

Tajne, Sunita; Sanam, Ramadevi; Gundla, Rambabu; Gandhi, Neha S.; Mancera, Ricardo L.; Boddupally, Dayakar; Vudem, Dashavantha Reddy; Khareedu, Venkateswara Rao

doi:10.1016/j.jmgm.2011.11.001

Cited by 18 publications

(12 citation statements)

References 72 publications

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“…A previous report had showed that Cry1Ac fusion proteins with the aminopeptidase N (APN) of Manduca sexta rationalized the higher binding affinity of the fusion protein with the APN receptor was compared [15]. Docking of tertiary structure of Cry1Ac protein with 1JQG - crystal structure of procarboxypeptidase from H. armigera was performed [16].…”

Section: Resultsmentioning

confidence: 99%

In silico identification of cross affinity towards Cry1Ac pesticidal protein with receptor enzyme in Bos taurus and sequence, structure analysis of crystal proteins for stability

Ebenezer

Nachimuthu²,

Thiagarajan³

et al. 2013

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Any novel protein introduced into the GM crops need to be evaluated for cross affinity on living organisms. Many researchers are currently focusing on the impact of Bacillus thuringiensis cotton on soil and microbial diversity by field experiments. In spite of this, in silico approach might be helpful to elucidate the impact of cry genes. The crystal a protein which was produced by Bt at the time of sporulation has been used as a biological pesticide to target the insectivorous pests like Cry1Ac for Helicoverpa armigera and Cry2Ab for Spodoptera sp. and Heliothis sp. Here, we present the comprehensive in silico analysis of Cry1Ac and Cry2Ab proteins with available in silico tools, databases and docking servers. Molecular docking of Cry1Ac with procarboxypeptidase from Helicoverpa armigera and Cry1Ac with Leucine aminopeptidase from Bos taurus has showed the 125th amino acid position to be the preference site of Cry1Ac protein. The structures were compared with each other and it showed 5% of similarity. The cross affinity of this toxin that have confirmed the earlier reports of ill effects of Bt cotton consumed by cattle.

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Section: Resultsmentioning

confidence: 99%

In silico identification of cross affinity towards Cry1Ac pesticidal protein with receptor enzyme in Bos taurus and sequence, structure analysis of crystal proteins for stability

Ebenezer

Nachimuthu²,

Thiagarajan³

et al. 2013

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“…Techniques such as rigid body optimization, 72 normal modes analysis, [73][74][75] as well as loop and side-chain resampling, 76,77 could be applied to refine the poses selected by the protocol described here, as well as more computationally intensive scoring strategies such as MM-GB(PB)/SA, [78][79][80][81] and ideally, would further improve the ranking of good quality solutions. FIGURE 9 Examples of the best quality poses selected by the docking procedure in the cross and unbound docking cases.…”

Section: Discussionmentioning

confidence: 99%

Optimization of protein–protein docking for predicting Fc–protein interactions

Agostino

Mancera

Ramsland

et al. 2016

J of Molecular Recognition

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have not yet been determined. Protein-protein docking could be used to investigate Fc-protein complexes; however, improved approaches are necessary to efficiently model such cases. In this study, a docking-based structural bioinformatics approach is developed for predicting the structures of Fcprotein complexes. Based on the available set of X-ray structures of Fc-protein complexes, three regions of the Fc, loosely corresponding to three turns within the structure, were defined as containing the essential features for protein recognition and used as restraints to filter the initial docking search.Rescoring the filtered poses with an optimal scoring strategy provided a success rate of approximately 80% of the test cases examined within the top ranked 20 poses, compared to approximately 20% by the initial unrestrained docking. The developed docking protocol provides a significant improvement over the initial unrestrained docking and will be valuable for predicting the structures of currently undetermined Fc-protein complexes, as well as in the design of peptides and proteins that target Fc.

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“…Bt gene is specific requiring alkaline environment of target insect gut. Furthermore, insects develop resistance against Bt gene over a period of five years (Tajne et al, 2012). Besides, based on its specificity, Bt gene is not effective against sucking insects.…”

Section: Discussionmentioning

confidence: 99%

Computational and Real-Time RT-PCR Expression Analyses of Garlic Lectin Gene

Usman¹,

Rehman²,

Khan³

et al. 2015

IJAB

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Sucking insect pests inflict heavy losses to important crops. Bt gene being unable to control sucking insects, lectin seems to be a good alternative insecticidal gene. However, studies on sequence analysis, evolutionary relationship and expression patterns of garlic lectin genes remained elusive. Therefore, this study was envisaged to explore lectin gene sequence diversity in different species, and to analyze differential expression of lectin genes in garlic bulb, leaf and root tissues. Phylogenetic reconstruction did not reveal well-defined clusters indicating divergence in lectin sequences in different plant species. Multiple alignments exhibited conservation in lectin coding sequences in the middle regions. On the other hand, both the N-and Ctermini were quite divergent and size of the coding regions varied greatly in different orthologs probably due to exonization of introns. Semi-quantitative and quantitative RT-PCR exhibited elevated expression of lectin genes in garlic bulb as compared to leaf and root tissues. this study has future implications in transforming insecticidal genes in crops against sucking insects.

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Molecular modeling of Bt Cry1Ac (DI–DII)–ASAL (Allium sativum lectin)–fusion protein and its interaction with aminopeptidase N (APN) receptor of Manduca sexta

Cited by 18 publications

References 72 publications

In silico identification of cross affinity towards Cry1Ac pesticidal protein with receptor enzyme in Bos taurus and sequence, structure analysis of crystal proteins for stability

In silico identification of cross affinity towards Cry1Ac pesticidal protein with receptor enzyme in Bos taurus and sequence, structure analysis of crystal proteins for stability

Optimization of protein–protein docking for predicting Fc–protein interactions

Computational and Real-Time RT-PCR Expression Analyses of Garlic Lectin Gene

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