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- W4220687600 abstract "Abstract Vascular Endothelial Growth Factor (VEGF) and its receptor play an important role both in physiologic and pathologic angiogenesis, which is identified in ovarian cancer progression and metastasis development. The aim of the present investigation is to identify a potential Vascular Endothelial Growth Factor inhibitor which is playing a crucial role in stimulating the immunosuppressive microenvironment in tumour cells of the ovary and to examine for an effectiveness of identified inhibitor for the treatment of ovarian cancer using various in-silico approaches. 12 established VEGF inhibitors were collected from various literature. The compound AEE788 displays the great affinity towards the target protein as a result of docking study. AEE788 was further used for structure-based virtual screening in order to obtain a more structurally similar compound with high affinity. Among the 80 Virtual screened compounds, CID 88265020, explicates much better affinity than established compound AEE788. Based on Molecular Dynamics Simulation, pharmacophore and comparative toxicity analysis of both the best-established compound and the best virtual screened compound displayed a trivial variation in associated properties. The virtual screened compound CID 88265020 have a high affinity with the lowest re-rank score, and holds a huge potential to inhibit the VGFR and can be implemented for prospective future investigations in Ovarian Cancer." @default.
- W4220687600 created "2022-04-03" @default.
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- W4220687600 date "2022-03-02" @default.
- W4220687600 modified "2023-10-05" @default.
- W4220687600 title "Structure-Based Virtual Screening, Molecular Docking, Molecular Dynamics simulation of VEGF inhibitors for the clinical treatment of Ovarian Cancer" @default.
- W4220687600 doi "https://doi.org/10.21203/rs.3.rs-840860/v2" @default.
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