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Joao P. M. Spadeto, Rodrigo A. Cormanich, Tanos C. C. Franca, Steven R. LaPlante & Arlan S. Goncalves. (2022) Docking and molecular dynamics studies of potential new leads against DBL3x derived from chondroitin sulfate A (CSA): a new approach for the treatment of malaria. Journal of Biomolecular Structure and Dynamics 40:18, pages 8384-8393.
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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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Yongfeng Wan, Shanshan Guan, Mengdan Qian, Houhou Huang, Fei Han, Song Wang & Hao Zhang. (2020) Structural basis of fullerene derivatives as novel potent inhibitors of protein acetylcholinesterase without catalytic active site interaction: insight into the inhibitory mechanism through molecular modeling studies. Journal of Biomolecular Structure and Dynamics 38:2, pages 410-425.
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Fereshteh Shiri, Somayeh Pirhadi & Jahan B. Ghasemi. (2019) Dynamic structure based pharmacophore modeling of the Acetylcholinesterase reveals several potential inhibitors. Journal of Biomolecular Structure and Dynamics 37:7, pages 1800-1812.
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Prayasee Baruah, Grace Basumatary, Semen O. Yesylevskyy, Kripamoy Aguan, Ghanashyam Bez & Sivaprasad Mitra. (2019) Novel coumarin derivatives as potent acetylcholinesterase inhibitors: insight into efficacy, mode and site of inhibition. Journal of Biomolecular Structure and Dynamics 37:7, pages 1750-1765.
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Poonam Piplani, Manish Sharma, Pakhuri Mehta & Ruchi Malik. (2018)
N-(4-Hydroxyphenyl)-3,4,5-trimethoxybenzamide derivatives as potential memory enhancers: synthesis, biological evaluation and molecular simulation studies. Journal of Biomolecular Structure and Dynamics 36:7, pages 1867-1877.
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Tabassum Hossain, Achintya Saha & Arup Mukherjee. (2018) Exploring molecular structural requirement for AChE inhibition through multi-chemometric and dynamics simulation analyses. Journal of Biomolecular Structure and Dynamics 36:5, pages 1274-1285.
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Kandasamy Saravanan, Chinnasamy Kalaiarasi & Poomani Kumaradhas. (2017) Understanding the conformational flexibility and electrostatic properties of curcumin in the active site of rhAChE via molecular docking, molecular dynamics, and charge density analysis. Journal of Biomolecular Structure and Dynamics 35:16, pages 3627-3647.
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Paulami Chatterjee & Debjani Roy. (2017) Structural insight into GRIP1-PDZ6 in Alzheimer’s disease: study from protein expression data to molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 35:10, pages 2235-2247.
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Arun Bahadur Gurung, Kripamoy Aguan, Sivaprasad Mitra & Atanu Bhattacharjee. (2017) Identification of molecular descriptors for design of novel Isoalloxazine derivatives as potential Acetylcholinesterase inhibitors against Alzheimer’s disease. Journal of Biomolecular Structure and Dynamics 35:8, pages 1729-1742.
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S. Dilipkumar, V. Karthik, Shanmuganathan Dk, Byran Gowramma & Kaviarasan Lakshmanan. In-silico screening and molecular dynamics simulation of quinazolinone derivatives as PARP1 and STAT3 dual inhibitors: a novel DML approaches. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-11.
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Articles from other publishers (7)
Casandra Pesado-Gómez, Juan S. Serrano-García, Andrés Amaya-Flórez, Gustavo Pesado-Gómez, Anell Soto-Contreras, David Morales-Morales & Raúl Colorado-Peralta. (2024) Fullerenes: Historical background, novel biological activities versus possible health risks. Coordination Chemistry Reviews 501, pages 215550.
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Dipanjan Ghosh, Gouranga Dutta, Abimanyu Sugumaran, Gopal Chakrabarti & Biplab Debnath. 2023. Carbon Nanostructures in Biomedical Applications. Carbon Nanostructures in Biomedical Applications
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Melchor Martínez-Herrera, Susana Figueroa-Gerstenmaier, Perla Y. López-Camacho, Cesar Millan-Pacheco, Miguel A. Balderas-Altamirano, Graciela Mendoza-Franco, Franciscos García-Sierra, Lizeth M. Zavala-Ocampo & Gustavo Basurto-Islas. (2022) Multiadducts of C60 Modulate Amyloid-β Fibrillation with Dual Acetylcholinesterase Inhibition and Antioxidant Properties: In Vitro and In Silico Studies. Journal of Alzheimer's Disease 87:2, pages 741-759.
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Miroslav Pohanka. (2020) Diagnoses of Pathological States Based on Acetylcholinesterase and Butyrylcholinesterase. Current Medicinal Chemistry 27:18, pages 2994-3011.
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Subramaniyan Vijayakumar, Palani Manogar, Srinivasan Prabhu & Ram Avadhar Sanjeevkumar Singh. (2018) Novel ligand-based docking; molecular dynamic simulations; and absorption, distribution, metabolism, and excretion approach to analyzing potential acetylcholinesterase inhibitors for Alzheimer's disease. Journal of Pharmaceutical Analysis 8:6, pages 413-420.
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Aman Chandra Kaushik, Ajay Kumar, Vivek Dhar Dwivedi, Shiv Bharadwaj, Sanjay Kumar, Kritika Bharti, Pavan Kumar, Ravi Kumar Chaudhary & Sarad Kumar Mishra. (2017) Deciphering the Biochemical Pathway and Pharmacokinetic Study of Amyloid βeta-42 with Superparamagnetic Iron Oxide Nanoparticles (SPIONs) Using Systems Biology Approach. Molecular Neurobiology 55:4, pages 3224-3236.
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Sotirios Katsamakas & Dimitra Hadjipavlou-Litina. 2019. Multi-Target Drug Design Using Chem-Bioinformatic Approaches. Multi-Target Drug Design Using Chem-Bioinformatic Approaches
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