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Journal of Receptors and Signal Transduction Volume 39, 2019 - Issue 2
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Research Article

In silico study combining QSAR, docking and molecular dynamics simulation on 2,4-disubstituted pyridopyrimidine derivatives

Maryam TadayonFaculty of Science, Chemistry Department, Shahid Bahonar University of Kerman, Kerman, Iran
&
Zahra Garkani-NejadFaculty of Science, Chemistry Department, Shahid Bahonar University of Kerman, Kerman, IranCorrespondence[email protected]
Pages 167-174 | Received 01 Mar 2019, Accepted 01 Jul 2019, Published online: 29 Jul 2019

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Arwansyah Arwansyah, Abdur Rahman Arif, Gita Syahputra, Sukarti Sukarti & Isman Kurniawan. (2021) Theoretical studies of Thiazolyl-Pyrazoline derivatives as promising drugs against malaria by QSAR modelling combined with molecular docking and molecular dynamics simulation. Molecular Simulation 47:12, pages 988-1001.
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Deblina Rababi & Anish Nag. (2023) Evaluation of therapeutic potentials of selected phytochemicals against Nipah virus, a multi-dimensional in silico study. 3 Biotech 13:6.
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Rahul Tripathi & Pravir Kumar. (2023) Preliminary study to identify CXCR4 inhibitors as potential therapeutic agents for Alzheimer’s and Parkinson’s diseases. Integrative Biology 15.
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Md Moinul, Sk Abdul Amin, Tarun Jha & Shovanlal Gayen. (2022) Updated chemical scaffolds of ABCG2 inhibitors and their structure-inhibition relationships for future development. European Journal of Medicinal Chemistry 241, pages 114628.
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Shahnawaz Ahmad, Md. Imtaiyaz Hassan, Dinesh Gupta, Neeraj Dwivedi & Asimul Islam. (2022) Design and evaluation of pyrimidine derivatives as potent inhibitors of ABCG2, a breast cancer resistance protein. 3 Biotech 12:9.
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Alexander V. Komkov, Mikhail А. Kozlov, Mikhail А. Prezent, Andrey S. Dmitrenok, Natalya G. Kolotyrkina, Mikhail E. Minyaev & Igor V. Zavarzin. (2022) Synthesis of novel pyrimido[4,5-d]pyrimidine derivatives from 5-acetyl-4-aminopyrimidines. Chemistry of Heterocyclic Compounds 58:4-5, pages 243-250.
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Mootaz M. Salman, Zaid Al-Obaidi, Philip Kitchen, Andrea Loreto, Roslyn M. Bill & Richard Wade-Martins. (2021) Advances in Applying Computer-Aided Drug Design for Neurodegenerative Diseases. International Journal of Molecular Sciences 22:9, pages 4688.
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