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Subramani Karthikeyan, Anandh Sundaramoorthy, Saravanan Kandasamy, Ganesan Bharanidharan, Prakasarao Aruna, Ramakrishnamurthy Suganya, Rajendiran Mangaiyarkarasi, Singaravelu Ganesan, Ganesh N. Pandian, Anitha Ramamoorthi & Shanmugavel Chinnathambi. (2023) A biophysical approach of tyrphostin AG879 binding information in: bovine serum albumin, human ErbB2, c-RAF1 kinase, SARS-CoV-2 main protease and angiotensin-converting enzyme 2. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-14.
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Subramani Karthikeyan, Maria Grishina, Saravanan Kandasamy, Rajendiran Mangaiyarkarasi, Anitha Ramamoorthi, Shanmugavel Chinnathambi, Ganesh N. Pandian & L. John Kennedy. (2023) A review on medicinally important heterocyclic compounds and importance of biophysical approach of underlying the insight mechanism in biological environment. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-21.
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Kandasamy Saravanan, Srinivasan Sugarthi, Suresh Suganya & Poomani Kumaradhas. (2022) 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 and Dynamics 40:23, pages 12880-12894.
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Samuel C. Ugbaja, Patrick Appiah-Kubi, Monsurat M. Lawal, Nelisiwe S. Gumede & Hezekiel M. Kumalo. (2022) Unravelling the molecular basis of AM-6494 high potency at BACE1 in Alzheimer’s disease: an integrated dynamic interaction investigation. Journal of Biomolecular Structure and Dynamics 40:12, pages 5253-5265.
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Hunday Govindasamy, Sivanandam Magudeeswaran & Kumaradhas Poomani. (2020) Identification of novel flavonoid inhibitor of Catechol-O-Methyltransferase enzyme by molecular screening, quantum mechanics/molecular mechanics and molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 38:18, pages 5307-5319.
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Maharajan Sivakumar, Kandasamy Saravanan, Velautham Saravanan, Srinivasan Sugarthi, Shankar Madan kumar, Mustafa Alhaji Isa, Perumal Rajakumar & Sanmargam Aravindhan. (2020) Discovery of new potential triplet acting inhibitor for Alzheimer’s disease via X-ray crystallography, molecular docking and molecular dynamics. Journal of Biomolecular Structure and Dynamics 38:7, pages 1903-1917.
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Kandasamy Saravanan, Govindasamy Hunday & Poomani Kumaradhas. (2020) Binding and stability of indirubin-3-monoxime in the GSK3β enzyme: a molecular dynamics simulation and binding free energy study. Journal of Biomolecular Structure and Dynamics 38:4, pages 957-974.
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Articles from other publishers (6)
Kannika Byadarahalli Ravindranath, Saravanan Kandasamy, Sheshadri Sunkathonnur Nagesha Rao, Abdel-Basit Al-Odayni, Waseem Sharaf Saeed, Nabil Najib Alzubaidy, Manjunath Neralekere Kenchegowda, Manju Nagaraja, Javare Gowda Siddegowda & Madan Kumar Shankar. (2023) A correlative approach in 3D structures of potential Alzheimer disease inhibitors. Journal of Molecular Structure 1287, pages 135684.
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Samuel C. Ugbaja, Isiaka A. Lawal, Bahijjahtu H. Abubakar, Aganze G. Mushebenge, Monsurat M. Lawal & Hezekiel M. Kumalo. (2022) Allostery Inhibition of BACE1 by Psychotic and Meroterpenoid Drugs in Alzheimer’s Disease Therapy. Molecules 27:14, pages 4372.
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Samuel C. Ugbaja, Isiaka A. Lawal, Hezekiel M. Kumalo & Monsurat M. Lawal. (2022) Alzheimer's Disease and β-secretase Inhibition: An Update with a Focus
on Computer-aided Inhibitor Design. Current Drug Targets 23:3, pages 266-285.
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Saravanan Kandasamy, Chitra Loganathan, Penislusshiyan Sakayanathan, Subramani Karthikeyan, Arputharaj David Stephen, Dinesh Kumar Marimuthu, Saravanan Ravichandran, Vignesh Sivalingam & Palvannan Thayumanavan. (2021) In silico, theoretical biointerface analysis and in vitro kinetic analysis of amine compounds interaction with acetylcholinesterase and butyrylcholinesterase. International Journal of Biological Macromolecules 185, pages 750-760.
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Opeyemi Iwaloye, Olusola Olalekan Elekofehinti, Babatomiwa Kikiowo, Toyin Mary Fadipe, Moses Orimoloye Akinjiyan, Esther Opeyemi Ariyo, Olabisi Olapade Aiyeku & Nicholas Adeyemi Adewumi. (2021) Discovery of Traditional Chinese Medicine Derived Compounds as Wild Type and Mutant Plasmodium falciparum Dihydrofolate Reductase Inhibitors: Induced Fit Docking and ADME Studies. Current Drug Discovery Technologies 18:4, pages 554-569.
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Kandasamy Saravanan & Poomani Kumaradhas. (2019) Acylguanidine-BACE1 complex: Insights of intermolecular interactions and dynamics. Journal of Theoretical Biology 464, pages 33-49.
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