Title:
Synthesis, molecular docking and Brugia malayi thymidylate kinase (BmTMK) enzyme inhibition study of novel derivatives of [6]-shogaol

dc.contributor.authorVinay Kr Singh
dc.contributor.authorPawan K. Doharey
dc.contributor.authorVikash Kumar
dc.contributor.authorJ.K. Saxena
dc.contributor.authorM.I. Siddiqi
dc.contributor.authorSushma Rathaur
dc.contributor.authorTadigoppula Narender
dc.date.accessioned2026-02-07T06:11:45Z
dc.date.issued2015
dc.description.abstract[6]-Shogaol (1) was isolated from Zingiber officinale. Twelve novel compounds have been synthesized and evaluated for their Brugia malayi thymidylate kinase (BmTMK) inhibition activity, which plays important role for the DNA synthesis in parasite. [6]-Shogaol (1) and shogaol with thymine head group (2), 5-bromouracil head group (3), adenine head group (4) and 2-amino-3-methylpyridine head group (5) showed potential inhibitory effect on BmTMK activity. Further molecular docking studies were carried out to explore the putative binding mode of compounds 1-5. © 2015 Elsevier Masson SAS.
dc.identifier.doi10.1016/j.ejmech.2015.01.035
dc.identifier.issn2235234
dc.identifier.urihttps://doi.org/10.1016/j.ejmech.2015.01.035
dc.identifier.urihttps://dl.bhu.ac.in/bhuir/handle/123456789/27961
dc.publisherElsevier Masson SAS
dc.subjectBrugia malayi
dc.subjectEnzyme inhibitor
dc.subjectFilariasis
dc.subjectMolecular modelling
dc.subjectThymidylate kinase
dc.subjectZingiber officinale
dc.subject[6]-Shogaol
dc.titleSynthesis, molecular docking and Brugia malayi thymidylate kinase (BmTMK) enzyme inhibition study of novel derivatives of [6]-shogaol
dc.typePublication
dspace.entity.typeArticle

Files

Collections