Articles with "docking approach" as a keyword



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Docking Approach to Predict Inhibition Activity of New Pt(II) Complexes Against Kinase Protein and Human DNA: Full Characterization, HF-FC Modeling and Genotoxicity

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Published in 2019 at "Journal of Inorganic and Organometallic Polymers and Materials"

DOI: 10.1007/s10904-019-01233-w

Abstract: New series of Pt(II)–azaindazole complexes, were synthesized and also characterized by, analytical, spectral and computational tools. All synthesized Pt(II)-complexes, appeared as mononuclear with bi-dentate mode of bonding. Octahedral arrangement as well as square-planer, were proposed… read more here.

Keywords: kinase protein; docking approach; dna; inhibition ... See more keywords

Identification of plant based potential antifungal compounds against BMK-1 protein of Bipolaris oryzae using molecular docking approach

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Published in 2024 at "Scientific Reports"

DOI: 10.1038/s41598-024-61431-6

Abstract: Rice brown spot is an important disease of rice worldwide that inflicts substantial yield losses. The antimicrobial potential of methanol, acetone and dimethyl sulfoxide (DMSO) extracts of different medicinal plants, viz., Syzygium aromaticum, Saussurea costus,… read more here.

Keywords: molecular docking; bipolaris oryzae; docking approach; aromaticum ... See more keywords

A Laser Intensity Based Autonomous Docking Approach for Mobile Robot Recharging in Unstructured Environments

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Published in 2022 at "IEEE Access"

DOI: 10.1109/access.2022.3188099

Abstract: Autonomous recharging is a fundamental requirement for autonomous mobile robots in order to allow them to work continuously without human intervention, and autonomous docking to a charging station is a challenging yet promising research area.… read more here.

Keywords: docking approach; intensity based; laser intensity; autonomous docking ... See more keywords

An Ensemble Docking Approach for Analyzing and Designing Aptamer Heterodimers Targeting VEGF165

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Published in 2024 at "International Journal of Molecular Sciences"

DOI: 10.3390/ijms25074066

Abstract: Vascular endothelial growth factor 165 (VEGF165) is a prominent isoform of the VEGF-A protein that plays a crucial role in various angiogenesis-related diseases. It is homodimeric, and each of its monomers is composed of two… read more here.

Keywords: docking approach; ensemble docking; aptamer heterodimer; vegf165 ... See more keywords

5-O-Acetylpinostrobin derivatives inhibit estrogen alpha and progesterone receptors through a molecular docking approach

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Published in 2024 at "Pharmacy Education"

DOI: 10.46542/pe.2024.243.244250

Abstract: Background: Among all cancers, breast cancer accounts for 11.7% of new cases and 6.9% of deaths worldwide. This is driven by increased estrogen receptor alpha (ERα) and progesterone receptor (PgR) expression. Many breast cancer drugs… read more here.

Keywords: acetylpinostrobin derivatives; docking approach; molecular docking; alpha progesterone ... See more keywords

Bioactive Compounds in Propolis from Wallacetrigona incisa and Their Application as Antibacterial Agent: In vitro and Molecular Docking Approach

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Published in 2024 at "Research Journal of Pharmacy and Technology"

DOI: 10.52711/0974-360x.2024.00395

Abstract: Propolis, an extremely sticky and resinous substance collected by honeybees, has been widely used as a health food, antioxidant, and antimicrobial. Utilization of propolis as nutraceutical depends on the bioactive compounds contained therein. The plant… read more here.

Keywords: molecular docking; propolis wallacetrigona; docking approach; bioactive compounds ... See more keywords