Saravanan K - Search Results

1

Complexes of 1-(2-R(F, CH₃, Cl)-phenyl)-1,4-dihydro-5H-tetrazole-5-thiones with cadmium chloride: Synthesis, molecular, crystal structures and computational investigation approach.

Askerov RK, El Bakri Y, Osmanov VK, Ahmad S, Saravanan K, Borisova GN, Nazarov RHO, Baranov EV, Fukin GK, Fukina DG, Khrustalev VN, Borisov AV. Askerov RK, et al. Among authors: saravanan k. J Inorg Biochem. 2022 Jun;231:111791. doi: 10.1016/j.jinorgbio.2022.111791. Epub 2022 Mar 11. J Inorg Biochem. 2022. PMID: 35338940

2

Computational Binding Analysis of Ethyl 3,3,5,5-Tetracyano-2-Hydroxy-2-Methyl-4,6-Diphenylcyclohexane-1-Carboxylate in Calf Thymus DNA.

Kurbanova M, Saravanan K, Ahmad S, Sadigova A, Askerov R, Magerramov A, Bakri YE. Kurbanova M, et al. Among authors: saravanan k. Appl Biochem Biotechnol. 2023 Sep;195(9):5338-5354. doi: 10.1007/s12010-022-03849-0. Epub 2022 Feb 23. Appl Biochem Biotechnol. 2023. PMID: 35195835

3

Synthesis, virtual screening and computational approach of a quinoxaline derivative as potent anti-HIV agent targeting the reverse transcriptase enzyme.

El Bakri Y, Saravanan K, Ahmad S, Mague JT. El Bakri Y, et al. Among authors: saravanan k. J Biomol Struct Dyn. 2023 Jul;41(11):5277-5290. doi: 10.1080/07391102.2022.2084456. Epub 2022 Jun 6. J Biomol Struct Dyn. 2023. PMID: 35665631

4

Self-assembly of new cobalt complexes based on [Co (SCN)₄], synthesis, empirical, antioxidant activity, and quantum theory investigations.

Ferchichi A, Makhlouf J, El Bakri Y, Saravanan K, Valkonen A, Hashem HE, Ahmad S, Smirani W. Ferchichi A, et al. Among authors: saravanan k. Sci Rep. 2022 Sep 22;12(1):15828. doi: 10.1038/s41598-022-18471-7. Sci Rep. 2022. PMID: 36138056 Free PMC article.

5

Exploring the different environments effect of piperine via combined crystallographic, QM/MM and molecular dynamics simulation study.

Saravanan K, Sivanandam M, Hunday G, Pavan MS, Kumaradhas P. Saravanan K, et al. J Mol Graph Model. 2019 Nov;92:280-295. doi: 10.1016/j.jmgm.2019.07.019. Epub 2019 Aug 3. J Mol Graph Model. 2019. PMID: 31425905

6

Discovery of new potential triplet acting inhibitor for Alzheimer's disease via X-ray crystallography, molecular docking and molecular dynamics.

Sivakumar M, Saravanan K, Saravanan V, Sugarthi S, Kumar SM, Alhaji Isa M, Rajakumar P, Aravindhan S. Sivakumar M, et al. Among authors: saravanan k, saravanan v. J Biomol Struct Dyn. 2020 Apr;38(7):1903-1917. doi: 10.1080/07391102.2019.1620128. Epub 2019 May 30. J Biomol Struct Dyn. 2020. PMID: 31099307

7

Probing the intermolecular interactions, binding affinity, charge density distribution and dynamics of silibinin in dual targets AChE and BACE1: QTAIM and molecular dynamics perspective.

Saravanan K, Sugarthi S, Suganya S, Kumaradhas P. Saravanan K, et al. J Biomol Struct Dyn. 2022;40(23):12880-12894. doi: 10.1080/07391102.2021.1977699. Epub 2021 Oct 12. J Biomol Struct Dyn. 2022. PMID: 34637680

8

Binding and stability of indirubin-3-monoxime in the GSK3β enzyme: a molecular dynamics simulation and binding free energy study.

Saravanan K, Hunday G, Kumaradhas P. Saravanan K, et al. J Biomol Struct Dyn. 2020 Mar;38(4):957-974. doi: 10.1080/07391102.2019.1591301. Epub 2019 Apr 9. J Biomol Struct Dyn. 2020. PMID: 30963817

9

Investigation of intermolecular interactions and stability of verubecestat in the active site of BACE1: Development of first model from QM/MM-based charge density and MD analysis.

Saravanan K, Sivanandam M, Hunday G, Mathiyalagan L, Kumaradhas P. Saravanan K, et al. J Biomol Struct Dyn. 2019 Jun;37(9):2339-2354. doi: 10.1080/07391102.2018.1479661. Epub 2018 Nov 19. J Biomol Struct Dyn. 2019. PMID: 30044206

10

Understanding the conformational flexibility and electrostatic properties of curcumin in the active site of rhAChE via molecular docking, molecular dynamics, and charge density analysis.

Saravanan K, Kalaiarasi C, Kumaradhas P. Saravanan K, et al. J Biomol Struct Dyn. 2017 Dec;35(16):3627-3647. doi: 10.1080/07391102.2016.1264891. Epub 2017 Jan 4. J Biomol Struct Dyn. 2017. PMID: 27897077

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