228
Views
1
CrossRef citations to date
0
Altmetric
Research Articles

In silico study revealed major conserve architectures and novel features of pyrabactin binding to Oryza sativa ABA receptors compare to the Arabidopsis thaliana

, , ORCID Icon &
Pages 3211-3224 | Received 22 Mar 2019, Accepted 04 Aug 2019, Published online: 09 Sep 2019
 

Abstract

Enhancing water use efficiency (WUE) of crops in irrigated agriculture and drought tolerance in rain-fed agriculture is the major goal for sustaining and enhancing agricultural productivity in the future. The phytohormone abscisic acid (ABA) signaling pathway is a major target for the agronomic management of WUE and genetic improvement of drought tolerance in crops. The START domain proteins PYRABACTIN RESISTANCE1 (PYR1)/PYR1-like (PYL)/Regulatory Components of ABA Receptors (RCARs) of the model plant Arabidopsis thaliana have been characterized as bona fide ABA receptors (ABARs). ABA signaling pathway can be activated or repressed by using specific agonist and antagonist against ABAR and therefore, can be used to control ABA-mediated physiological changes in plants. In the present work, we have reported the 3 D structure models of three ABARs (OsPYL1-3) from drought-tolerant Indica rice N22 (Oryza sativa L. sp. Indica cv N22) in apo- and ligand-bound conformations developed using comparative modeling techniques. Subsequently, these models were used in docking study to investigate the binding mode of known ABAR agonists and antagonists. Further, molecular dynamics studies on the selected systems verified the residues involved in protein-ligand interactions. The study identified the important ligand-binding features for the future development of specific agonists/antagonists to modulate the ABA activity in O. sativa and provides in silico models for designing and virtual screening to identify potent ABA receptor ligands.

Communicated by Ramaswamy H. Sarma

Acknowledgments

MKG and SKL greatly acknowledge Director, TERI-Deakin Nanobiotechnology Centre for providing support and necessary facility.

Disclosure statement

No potential conflict of interest was reported by the authors.

Additional information

Funding

VC was funded by NASF, ICAR, New Delhi, Grant No. NFBSFARA/Phen 2015/2011-12.

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.