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Item hits:
Issue Date
Title
Author(s)
2023-04
Discovery of potent DNMT1 inhibitors against sickle cell disease using structural-based virtual screening, MM-GBSA and molecular dynamics simulation-based approaches
Murugesan, Sankaranarayanan
2023-07
Pharmacoinformatics-Based Approach for Uncovering the Quorum-Quenching Activity of Phytocompounds against the Oral Pathogen, Streptococcus mutans
Murugesan, Sankaranarayanan
2023-01
Molecular Docking and Dynamics Identifies Potential Repurposed Drug Candidates for COVID-19 Studies
Murugesan, Sankaranarayanan
2023-11
In Silico Exploration of Bisphosphonate Scaffolds as Potential Inhibitors of SARS-CoV-2 RdRp for COVID-19 and PASC
Murugesan, Sankaranarayanan
2023
Molecular Docking and Dynamics Identify Potential Drugs to be Repurposed as SARS-CoV-2 Inhibitors
Murugesan, Sankaranarayanan
2023-12
Chromone-3-acrylic acid ester analogues: Design, synthesis and biological evaluation as potential pancreatic lipase inhibitors
Paul, Atish Tulshiram
2023-01
Discovery of small molecule inhibitors of Mycobacterium tuberculosis ClpC1: SAR studies and antimycobacterial evaluation
Sundriyal, Sandeep
2023-11
Identification of synthetically tractable MERS-CoV main protease inhibitors using structure-based virtual screening and molecular dynamics potential of mean force (PMF) calculations
Sundriyal, Sandeep
2023-07
In silico anti-viral assessment of phytoconstituents in a traditional (Siddha Medicine) polyherbal formulation – Targeting Mpro and pan-coronavirus post-fusion Spike protein
Murugesan, Sankaranarayanan
;
Deepa, P. R.
Discover
Author
6
Murugesan, Sankaranarayanan
2
Sundriyal, Sandeep
1
Deepa, P. R.
1
Paul, Atish Tulshiram
Subject
3
COVID-19
3
Molecular dynamics
3
SARS-CoV-2
2
Drug repurposing
2
Long COVID
2
Molecular dynamics simulation (MDS)
1
Acrylate
1
ADMET
1
Bisphosphonates
1
Chromone
.
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