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Emre Güzel, Ümit M. Koçyiğit, Parham Taslimi, İlhami Gülçin, Sultan Erkan, Mehmet Nebioğlu, Barış S. Arslan & İlkay Şişman. (2022) Phthalocyanine complexes with (4-isopropylbenzyl)oxy substituents: preparation and evaluation of anti-carbonic anhydrase, anticholinesterase enzymes and molecular docking studies. Journal of Biomolecular Structure and Dynamics 40:2, pages 733-741.
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Shweta Sharma, Shubham Srivastav, Garima Singh, Smrita Singh, Ruchi Malik, Mohammad Mumtaz Alam, Mohammad Shaqiquzamman, Shakir Ali & Mymoona Akhter. (2021) In silico strategies for probing novel DPP-IV inhibitors as anti-diabetic agents. Journal of Biomolecular Structure and Dynamics 39:6, pages 2118-2132.
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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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Anju C.P.Sunitha Subhramanian, Natalia Sizochenko, Anu R. Melge, Jerzy Leszczynski & C. Gopi Mohan. (2019) Multiple e-Pharmacophore modeling to identify a single molecule that could target both streptomycin and paromomycin binding sites for 30S ribosomal subunit inhibition. Journal of Biomolecular Structure and Dynamics 37:6, pages 1582-1596.
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Mariana P. Barcellos, Cleydson B. R. Santos, Leonardo B. Federico, Paulo Fernando de Almeida, Carlos H. T. de Paula. da Silva & Carlton A. Taft. (2019) Pharmacophore and structure-based drug design, molecular dynamics and admet/tox studies to design novel potential pad4 inhibitors. Journal of Biomolecular Structure and Dynamics 37:4, pages 966-981.
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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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Md. Chayan Ali, Yeasmin Akter Munni, Raju Das, Nasrin Akter, Kantu Das, Sarmistha Mitra, Md. Abdul Hannan & Raju Dash. (2021) In silico chemical profiling and identification of neuromodulators from Curcuma amada targeting acetylcholinesterase. Network Modeling Analysis in Health Informatics and Bioinformatics 10:1.
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Bhanwar Singh Choudhary, Sukanya, Pakhuri Mehta, Stephane Bach, Sandrine Ruchaud, Thomas Robert, Beatrice Josselin, Slawomir Filipek & Ruchi Malik. (2021) Discovery of thiazolidin-4-one analogue as selective GSK-3β inhibitor through structure based virtual screening. Bioorganic & Medicinal Chemistry Letters 52, pages 128375.
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Kiran Bagri, Ashwani Kumar, Manisha & Parvin Kumar. (2020) Computational Studies on Acetylcholinesterase Inhibitors: From Biochemistry to Chemistry. Mini-Reviews in Medicinal Chemistry 20:14, pages 1403-1435.
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José L. Velázquez-Libera, Julio Caballero, Alla P. Toropova & Andrey A. Toropov. (2019) Estimation of 2D autocorrelation descriptors and 2D Monte Carlo descriptors as a tool to build up predictive models for acetylcholinesterase (AChE) inhibitory activity. Chemometrics and Intelligent Laboratory Systems 184, pages 14-21.
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