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Screening of potential inhibitors of Leishmania major N-myristoyltransferase from Azadirachta indica phytochemicals for leishmaniasis drug discovery by molecular docking, molecular dynamics simulation and density functional theory methods.
Tewari D, Rawat K, Bisht A, Almoyad MAA, Wahab S, Chandra S, Pande V. Tewari D, et al. Among authors: chandra s. J Biomol Struct Dyn. 2023 Nov 3:1-18. doi: 10.1080/07391102.2023.2279281. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 37922151
Integrated Machine Learning and Chemoinformatics-Based Screening of Mycotic Compounds against Kinesin Spindle ProteinEg5 for Lung Cancer Therapy.
Maiti P, Sharma P, Nand M, Bhatt ID, Ramakrishnan MA, Mathpal S, Joshi T, Pant R, Mahmud S, Simal-Gandara J, Alshehri S, Ghoneim MM, Alruwaily M, Awadh AAA, Alshahrani MM, Chandra S. Maiti P, et al. Among authors: chandra s. Molecules. 2022 Mar 2;27(5):1639. doi: 10.3390/molecules27051639. Molecules. 2022. PMID: 35268740 Free PMC article.
2,789 results