Kumaradhas Poomani (Poomani Kumaradhas, P Kumaradhas)

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 19

Top Topics

Respiratory Syndrome Coronavirus

Endoplasmic Reticulum

Estrogen Receptor

Crystal Structure

Top Venues

Acta crystallographica. Section C, Structural chemistry

Journal of biomolecular structure & dynamics

Journal of cellular biochemistry

Acta crystallographica Section B, Structural science, crystal engineering and materials

This page only lists publications with an associated author ORCID identifier.

Publications

Hemalatha Balasubramanian, Petchi Raman Mariappan, Kumaradhas Poomani
Crystal structure, intermolecular interactions, charge-density distribution and ADME properties of the acridinium 4-nitrobenzoate and 2-amino-3-methylpyridinium 4-nitrobenzoate salts: a combined experimental and theoretical study. Acta crystallographica. Section C, Structural chemistry 80 (Pt 4) (2024)
Hemalatha Balasubramanian, Aarifa Muhammed Ashraf, Srikanth Karuppannan, Kumaradhas Poomani
Synthesis and structural investigation of salts of 2-amino-3-methylpyridine with carboxylic acid derivatives: an experimental and theoretical study. Acta crystallographica. Section C, Structural chemistry 80 (Pt 7) (2024)
Hemalatha Balasubramanian, Petchi Raman Mariappan, Kumaradhas Poomani
Crystal structure, intermolecular interactions, charge-density distribution and ADME properties of the acridinium 4-nitrobenzoate and 2-amino-3-methylpyridinium 4-nitrobenzoate salts: a combined experimental and theoretical study. Acta crystallographica. Section C, Structural chemistry (2024)
Hemalatha Balasubramanian, Petchi Raman Mariappan, Kumaradhas Poomani
Crystal structure, intermolecular interactions, charge-density distribution and ADME properties of the acridinium 4-nitrobenzoate and 2-amino-3-methylpyridinium 4-nitrobenzoate salts: a combined experimental and theoretical study. Acta crystallographica. Section C, Structural chemistry 80 (Pt 4) (2024)
Hemalatha Balasubramanian, Petchi Raman Mariappan, Kumaradhas Poomani
Crystal structure, intermolecular interactions, charge-density distribution and ADME properties of the acridinium 4-nitrobenzoate and 2-amino-3-methylpyridinium 4-nitrobenzoate salts: a combined experimental and theoretical study. Acta crystallographica. Section C, Structural chemistry 80 (Pt 4) (2024)
Hemalatha Balasubramanian, Aarifa Muhammed Ashraf, Srikanth Karuppannan, Kumaradhas Poomani
Synthesis and structural investigation of salts of 2-amino-3-methylpyridine with carboxylic acid derivatives: an experimental and theoretical study. Acta crystallographica. Section C, Structural chemistry (2024)
Archana Chinnamadhu, Ramakrishnan Jaganathan, Suganya Suresh, Kumaradhas Poomani
Binding properties of selective inhibitors of P323L mutated RdRp of SARS-CoV-2: a combined molecular screening, docking and dynamics simulation study. Journal of biomolecular structure & dynamics (2023)
Ramakrishnan Jaganathan, Archana Chinnamadhu, Suganya Suresh, Kumaradhas Poomani
Probing the binding nature and stability of highly transmissible mutated variant alpha to omicron of SARS-CoV-2 RBD with ACE2 via molecular dynamics simulation. Journal of cellular biochemistry (2023)
Ramakrishnan Jaganathan, Kumaradhas Poomani
Binding mechanism of anacardic acid, carnosol and garcinol with PCAF: A comprehensive study using molecular docking and molecular dynamics simulations and binding free energy analysis. Journal of cellular biochemistry (2023)
Ismail Shahanaj, Ramakrishnan Jaganathan, Kumaradhas Poomani, Devarajan Natarajan
Lawsonia inermis flower aqueous extract expressed better anti-alpha-glucosidase and anti-acetylcholinesterase activity and their molecular dynamics. Journal of biomolecular structure & dynamics (2023)
Archana Chinnamadhu, Ramakrishnan Jaganathan, Suganya Suresh, Prakash Ramadurai, Kumaradhas Poomani
Dynamics and binding affinity of nucleoside and non-nucleoside inhibitors with RdRp of SARS-CoV-2: a molecular screening, docking, and molecular dynamics simulation study. Journal of biomolecular structure & dynamics (2022)
Ramakrishnan Jaganathan, Magudeeswaran Sivanandam, Suganya Suresh, Kumaradhas Poomani
Investigation of intermolecular interactions and binding mechanism of PU139 and PU141 molecules with p300 HAT enzyme via molecular docking, molecular dynamics simulations and binding free energy analysis. Journal of biomolecular structure & dynamics (2022)
Suganya Suresh, Kandasamy Saravanan, Hemalatha Balasubramanian, Ramakrishnan Jaganathan, Kumaradhas Poomani
Insights on structure and interactions of 2-amino-4-methoxy-6-methylpyrimidinium salts with 4-aminosalicylate and 5-chlorosalicylate: a combined experimental and theoretical charge-density analysis. Acta crystallographica. Section C, Structural chemistry 78 (Pt 3) (2022)
Ramakrishnan Jaganathan, Kandasamy Saravanan, Ancy Iruthayaraj, Magudeeswaran Sivanandam, Chinnasamy Kalaiarasi, Kumaradhas Poomani
Strong Binding of Leupeptin with TMPRSS2 Protease May Be an Alternative to Camostat and Nafamostat for SARS-CoV-2 Repurposed Drug: Evaluation from Molecular Docking and Molecular Dynamics Simulations. Applied biochemistry and biotechnology 193 (6) (2021)
Kandasamy Saravanan, Srinivasan Sugarthi, Suganya Suresh, Kumaradhas Poomani
Probing the intermolecular interactions, binding affinity, charge density distribution and dynamics of silibinin in dual targets AChE and BACE1: QTAIM and molecular dynamics perspective. Journal of biomolecular structure & dynamics (2021)
Kalaiarasi Chinnasamy, Manjula Saravanan, Kumaradhas Poomani
Investigation of binding mechanism and downregulation of elacestrant for wild and L536S mutant estrogen receptor-α through molecular dynamics simulation and binding free energy analysis. Journal of computational chemistry 41 (2) (2019)
Chinnasamy Kalaiarasi, Christy George, Rajesh G Gonnade, Venkatesha R Hathwar, Kumaradhas Poomani
Experimental and theoretical charge density, intermolecular interactions and electrostatic properties of metronidazole. Acta crystallographica Section B, Structural science, crystal engineering and materials 75 (Pt 6) (2019)
Magudeeswaran Sivanandam, Kumaradhas Poomani
Binding mechanism of spinosine and venenatine molecules with p300 HAT enzyme: Molecular screening, molecular dynamics and free-energy analysis. Journal of cellular biochemistry 121 (2) (2019)
C Kalaiarasi, S Manjula, Kumaradhas Poomani
Combined quantum mechanics/molecular mechanics (QM/MM) methods to understand the charge density distribution of estrogens in the active site of estrogen receptors. RSC advances 9 (69) (2019)