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Shanthi Nagarajan
Researcher at Oregon Health & Science University
Publications - 20
Citations - 341
Shanthi Nagarajan is an academic researcher from Oregon Health & Science University. The author has contributed to research in topics: Virtual screening & Pharmacophore. The author has an hindex of 8, co-authored 19 publications receiving 272 citations. Previous affiliations of Shanthi Nagarajan include Korea University of Science and Technology & Pondicherry University.
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Journal ArticleDOI
Homology modeling, molecular dynamics, e-pharmacophore mapping and docking study of Chikungunya virus nsP2 protease
Kh. Dhanachandra Singh,Palani Kirubakaran,Shanthi Nagarajan,Sugunadevi Sakkiah,Karthikeyan Muthusamy,Devadasan Velmurgan,Jeyaraman Jeyakanthan +6 more
TL;DR: A homology model of nsP2 protein based on the crystal structure of the nsP1 protein of Venezuelan equine encephalitis virus is presented, and the pharmacophore features that must be present in an inhibitor of ns P2 protease are proposed.
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Structure-activity relationships of bath salt components: substituted cathinones and benzofurans at biogenic amine transporters
Amy J. Eshleman,Shanthi Nagarajan,Katherine M. Wolfrum,John F. Reed,Tracy L. Swanson,Aaron Nilsen,Aaron Janowsky +6 more
TL;DR: The α-pyrrolidinophenones, with high hDAT selectivity, have high abuse potential and suggest similarity to methylenedioxymethamphetamine, entactogens with lower stimulant activity.
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Receptor-Ligand Interaction-Based Virtual Screening for Novel Eg5/Kinesin Spindle Protein Inhibitors
TL;DR: This work employed structure-based virtual screening of a database of 700, 000 compounds to identify three novel Eg5 inhibitors bearing quinazoline or thioxoimidazolidine scaffolds, which inhibit Eg5 ATPase activity, show growth inhibition in proliferation assays, and induce monoastral spindles in cells, the characteristic phenotype for Eg5 inhibiting agents.
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IKKβ inhibitors identification part I: Homology model assisted structure based virtual screening
Shanthi Nagarajan,Munikumar Reddy Doddareddy,Munikumar Reddy Doddareddy,Hyunah Choo,Yong Seo Cho,Kwang-Seok Oh,Byung Ho Lee,Ae Nim Pae +7 more
TL;DR: From the combined approach of virtual screening followed by biological screening, it is identified six novel compounds that can work against IKKbeta, in which 1 compound had highest inhibition rate 82.09% at 10 microM and IC(50) 1.76 microM.
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Affinity, potency, efficacy, selectivity, and molecular modeling of substituted fentanyls at opioid receptors.
Amy J. Eshleman,Shanthi Nagarajan,Katherine M. Wolfrum,John F. Reed,Aaron Nilsen,Randy Torralva,Aaron Janowsky +6 more
TL;DR: The predicted binding pose, in conjunction with in vitro binding affinity, clarified the molecular basis of the binding/selectivity profile of furanyl fentanyl and other derivatives at the sequence level.