* Structural insights into the interactions of xpt riboswitch with novel guanine analogues: a molecular dynamics simulation study.
- Ligand recognition in purine riboswitches is a complex process requiring different levels of conformational changes. Recent efforts in the area of purine riboswitch research have focused on ligand analogue binding studies. In the case of the guanine xanthine phosphoribosyl transferase (xpt) riboswitch, synthetic analogues that resemble guanine have the potential to tightly bind and subsequently influence the genetic expression of xpt mRNA in prokaryotes. We have carried out 25 ns Molecular Dynamics (MD) simulation studies of the aptamer domain of the xpt G-riboswitch in four different states: guanine riboswitch in free form, riboswitch bound with its cognate ligand guanine, and with two guanine analogues SJ1 and SJ2. Our work reveals novel interactions of SJ1 and SJ2 ligands with the binding core residues of the riboswitch. The ligands proposed in this work bind to the riboswitch with greater overall stability and lower root mean square deviations and fluctuations compared to guanine ligand. Reporter gene assay data demonstrate that the ligand analogues, upon binding to the RNA, lower the genetic expression of the guanine riboswitch. Our work has important implications for future ligand design and binding studies in the exciting field of riboswitches.
=>表現すること, 式, 表現, 表示, 言い回し, 表現法, 表情
Overview of noun expression
The noun expression has 9 senses (first 6 from tagged texts)
1. (23) expression, look, aspect, facial expression, face -- (the feelings expressed on a person's
face; "a sad expression"; "a look of triumph"; "an angry face")
2. (18) expression, manifestation, reflection, reflexion -- (expression without words; "tears are an
expression of grief"; "the pulse is a reflection of the heart's condition")
3. (15) expression, verbal expression, verbalism -- (the communication (in speech or writing) of
your beliefs or opinions; "expressions of good will"; "he helped me find verbal expression for my
ideas"; "the idea was immediate but the verbalism took hours")
4. (5) saying, expression, locution -- (a word or phrase that particular people use in particular
situations; "pardon the expression")
5. (4) formulation, expression -- (the style of expressing yourself; "he suggested a better
formulation"; "his manner of expression showed how much he cared")
6. (4) formula, expression -- (a group of symbols that make a mathematical statement)
7. expression -- ((genetics) the process of expressing a gene)
8. construction, grammatical construction, expression -- (a group of words that form a constituent
of a sentence and are considered as a single unit; "I concluded from his awkward constructions that
he was a foreigner")
9. expression -- (the act of forcing something out by squeezing or pressing; "the expression of milk
from her breast")
--- WordNet end ---