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Year Number of Results
2021 5
2022 19
2023 105
2024 12

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105 results

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Page 1
CircRNA-miRNA-mRNA interactome analysis in endometrial cancer.
Dakal TC, Kumar A, Maurya PK. Dakal TC, et al. J Biomol Struct Dyn. 2023 Dec 12:1-12. doi: 10.1080/07391102.2023.2291834. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 38084757
The expression of hsa-miR-433-3p showed significant predictive relevance (Fold Change = 1.8, AUC = 0.736, Mann-Whitney test p-value = 6.1 e- 14) suggesting its predictive relevance in assessing patients' response to chemotherapy. ...
The expression of hsa-miR-433-3p showed significant predictive relevance (Fold Change = 1.8, AUC = 0.736, Mann-Whitney test p-value = …
Synthesis, characterization, and in silico studies of 1,8-naphthyridine derivatives as potential anti-Parkinson's agents.
Ojha M, Kumar A, Prasun C, Nair MS, Chaturvedi S, Paliwal SK, Nain S. Ojha M, et al. J Biomol Struct Dyn. 2023 Feb;41(3):805-820. doi: 10.1080/07391102.2021.2013320. Epub 2021 Dec 13. J Biomol Struct Dyn. 2023. PMID: 34895067
1,8-Naphthyridine scaffold is a nitrogen-containing heterocyclic compound known for its versatile biological activities. ...Based on the SAR studies, modifications were done at the 3rd position of the nucleus by incorporating secondary amines. The synthesized compounds wer …
1,8-Naphthyridine scaffold is a nitrogen-containing heterocyclic compound known for its versatile biological activities. ...Based on …
Molecular modeling, docking and dynamics studies of fenugreek (Trigonella foenum-graecum) α-amylase.
Kumar A, Singh VK, Kayastha AM. Kumar A, et al. J Biomol Struct Dyn. 2023 Nov;41(19):9297-9312. doi: 10.1080/07391102.2022.2144458. Epub 2022 Nov 11. J Biomol Struct Dyn. 2023. PMID: 36369783
No: XP004499059.1), Cajanus cajan (Acc. No: XP020231823.1), Vigna angularis (Acc. No: NP001316768.1) and Vigna mungo (Acc. No: P17859.1), in group A cluster, while Hordeum vulgare (Acc. ...
No: XP004499059.1), Cajanus cajan (Acc. No: XP020231823.1), Vigna angularis (Acc. No: NP001316768.1) and Vigna mungo (A …
In silico based multi-epitope vaccine design against norovirus.
Shanthappa PM, Suravajhala R, Suravajhala P, Kumar G, Melethadathil N. Shanthappa PM, et al. J Biomol Struct Dyn. 2023 Jul-Aug;41(12):5696-5706. doi: 10.1080/07391102.2022.2105400. Epub 2022 Aug 2. J Biomol Struct Dyn. 2023. PMID: 35916029
The vaccine candidate developed expresses good solubility with a score of 0.530, Z-score of -4.39 and molecular docking score of -140.4 12.1. The MD trajectories reveal that there is a stability between TLR3 and the developed vaccine candidate with an average of 0.91 nm RM …
The vaccine candidate developed expresses good solubility with a score of 0.530, Z-score of -4.39 and molecular docking score of -140.4 12. …
Design, synthesis, extra-precision docking, and molecular dynamics simulation studies of pyrrolidin-2-one derivatives as potential acetylcholinesterase inhibitors.
Gupta M, Kumar A, Prasun C, Nair MS, Kini SG, Yadav D, Nain S. Gupta M, et al. J Biomol Struct Dyn. 2023 Aug-Sep;41(13):6282-6294. doi: 10.1080/07391102.2022.2106515. Epub 2022 Aug 3. J Biomol Struct Dyn. 2023. PMID: 35921217
Docking and MD simulation studies suggested that the synthesized compounds showed a good binding affinity with AChE. and might form stable complexes. 3-(4-(benzyl(methyl)amino)piperidin-1-yl)-1-(3,4-dimethoxybenzyl)pyrrolidin-2-one (14a; docking score: -18.59) and …
Docking and MD simulation studies suggested that the synthesized compounds showed a good binding affinity with AChE. and might form stable c …
Development of quinazolinone and vanillin acrylamide hybrids as multi-target directed ligands against Alzheimer's disease and mechanistic insights into their binding with acetylcholinesterase.
Yelamanda Rao K, Jeelan Basha S, Monika K, Naidu Gajula N, Sivakumar I, Kumar S, Vadde R, Aramati BMR, Subramanyam R, Damu AG. Yelamanda Rao K, et al. J Biomol Struct Dyn. 2023 Dec;41(20):11148-11165. doi: 10.1080/07391102.2023.2203255. Epub 2023 Apr 26. J Biomol Struct Dyn. 2023. PMID: 37098803
Five of the target analogs 9e, 9h, 9 l, 9t and 9z showed elevated AChE inhibitory activity with IC(50) values of 1.058 0.06, 1.362 0.09, 1.434 0.10, 1.015 0.10, 1.035 0.02 M respectively, high inhibition selectivity against AChE over BChE and go …
Five of the target analogs 9e, 9h, 9 l, 9t and 9z showed elevated AChE inhibitory activity with IC(50) values of 1.058 0.06, 1 …
Mangiferin from Enicostemma littorale Blume with in silico and in vitro anti-inflammatory potential.
Kumar N, Tripathi N, Kumar S, Kushwaha M, Banerjee C, Dey S. Kumar N, et al. J Biomol Struct Dyn. 2023 Sep 5:1-10. doi: 10.1080/07391102.2023.2253914. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 37668002
The bioassay-guided fractionation of the extract of aerial parts of Enicostemma littorale resulted in two fractions 3 and 4 with moderate and potent antioxidant activity, respectively. The purification of fraction 3 gave swertiamarin (1), while the LCMS profile of fraction …
The bioassay-guided fractionation of the extract of aerial parts of Enicostemma littorale resulted in two fractions 3 and 4 with moderate an …
105 results