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Issue DateTitleAuthor(s)
2023-04Discovery of potent DNMT1 inhibitors against sickle cell disease using structural-based virtual screening, MM-GBSA and molecular dynamics simulation-based approachesMurugesan, Sankaranarayanan
2023-07Pharmacoinformatics-Based Approach for Uncovering the Quorum-Quenching Activity of Phytocompounds against the Oral Pathogen, Streptococcus mutansMurugesan, Sankaranarayanan
2023-01Molecular Docking and Dynamics Identifies Potential Repurposed Drug Candidates for COVID-19 StudiesMurugesan, Sankaranarayanan
2023-11In Silico Exploration of Bisphosphonate Scaffolds as Potential Inhibitors of SARS-CoV-2 RdRp for COVID-19 and PASCMurugesan, Sankaranarayanan
2023Molecular Docking and Dynamics Identify Potential Drugs to be Repurposed as SARS-CoV-2 InhibitorsMurugesan, Sankaranarayanan
2023-07In silico anti-viral assessment of phytoconstituents in a traditional (Siddha Medicine) polyherbal formulation – Targeting Mpro and pan-coronavirus post-fusion Spike proteinMurugesan, Sankaranarayanan
2023-12Chromone-3-acrylic acid ester analogues: Design, synthesis and biological evaluation as potential pancreatic lipase inhibitorsPaul, Atish Tulshiram
2023-01Discovery of small molecule inhibitors of Mycobacterium tuberculosis ClpC1: SAR studies and antimycobacterial evaluationSundriyal, Sandeep
2023-11Identification of synthetically tractable MERS-CoV main protease inhibitors using structure-based virtual screening and molecular dynamics potential of mean force (PMF) calculationsSundriyal, Sandeep