title: Inhibitor designing, virtual screening, and docking studies for methyltransferase: A potential target against dengue virus.
abstract: OBJECTIVE
  Aim of this work was to design and identify some S-adenosyl-L-homocysteine (SAH) analogs as inhibitors of S-adenosyl-L-methionine-dependent methyltransferase (MTase) protein using computational approaches.
  
  
  BACKGROUND
  According to the current scenario the dengue has been a global burden. The people are being killed by dengue virus in an abundant number. Despite of lot of research being going on dengue worldwide, there is no single drug which can kill its virus. This creates an urge for new drug target identification and designing. MTase has been reported as an effective target against dengue virus as it catalyzes an essential step in methylation and capping of viral RNA for viral replication.
  
  
  METHODS
  The crystal structure of MTase in complex with SAH was used for designing new analogs of SAH. SAH analogs designed were analyzed on the basis of docking, ADMET, and toxicity analysis done using Discovery Studio 3.5.
  
  
  RESULTS
  Seventeen analogs found noncarcinogenic, nonmutagenic, as well as good ADMET properties and good drug-like profile.
  
  
  CONCLUSIONS
  These SAH analogs, inhibitors of MTase may act as drugs against dengue virus. Further synthesis and biological testing against dengue virus is under observation.
authors.affiliation: Department of Pharmaceutical Sciences, Maharshi Dayanand University, Rohtak, Haryana, India.
authors.forename: Jagbir
authors.initials: J
authors.lastname: Singh
authors.affiliation: Department of Pharmaceutical Sciences, Maharshi Dayanand University, Rohtak, Haryana, India.
authors.forename: Mahesh
authors.initials: M
authors.lastname: Kumar
authors.affiliation: Department of Pharmacoinformatics, Pharmacoinformatics Laboratory, National Institute of Pharmaceutical Education and Research, Hajipur, Bihar, India.
authors.forename: Rani
authors.initials: R
authors.lastname: Mansuri
authors.affiliation: Department of Pharmacoinformatics, Pharmacoinformatics Laboratory, National Institute of Pharmaceutical Education and Research, Hajipur, Bihar, India.
authors.forename: Ganesh Chandra
authors.initials: GC
authors.lastname: Sahoo
authors.affiliation: Department of Pharmaceutical Sciences, Ch. Bansilal University, Bhiwani, Haryana, India.
authors.forename: Aakash
authors.initials: A
authors.lastname: Deep
keywords: ADMET; Discovery Studio 3.5; S-adenosyl-L-homocysteine; S-adenosyl-L-methionine; dengue virus; methyltrans15ferase