Saraswat Deepika, Nehra Sarita, Chaudhary Kamal, CVS Siva Prasad
Department of Experimental Biology, Defence Institute of Physiology and Allied Science, Defence Research and Development Organization, New Delhi, India.
Clin Exp Pharmacol Physiol. 2015 May;42(5):475-84. doi: 10.1111/1440-1681.12387.
Vascular endothelial growth factor (VEGF) is an important cerebral angiogenic and permeability factor under hypoxia. There is a need to find effective molecules that may ameliorate hypoxia-induced cerebral oedema. In silico identification of novel candidate molecules that block VEGF-A site were identified and validated with a Ramachandran plot. The active site residues of VEGF-A were detected by Pocketfinder, CASTp, and DogSiteScorer. Based on in silico data, three VEGF-A blocker (VAB) candidate molecules (VAB1, VAB2, and VAB3) were checked for improvement in cellular viability and regulation of VEGF levels in N2a cells under hypoxia (0.5% O2 ). Additionally, the best candidate molecule's efficacy was assessed in male Sprague-Dawley rats for its ameliorative effect on cerebral oedema and vascular leakage under hypobaric hypoxia 7260 m. All experimental results were compared with the commercially available VEGF blocker sunitinib. Vascular endothelial growth factor-A blocker 1 was found most effective in increasing cellular viability and maintaining normal VEGF levels under hypoxia (0.5% oxygen) in N2a cells. Vascular endothelial growth factor-A blocker 1 effectively restored VEGF levels, decreased cerebral oedema, and reduced vascular leakage under hypobaric hypoxia when compared to sunitinib-treated rats. Vascular endothelial growth factor-A blocker 1 may be a promising candidate molecule for ameliorating hypobaric hypoxia-induced vasogenic oedema by regulating VEGF levels.
血管内皮生长因子(VEGF)是缺氧状态下一种重要的脑血管生成和通透性因子。有必要寻找可改善缺氧诱导的脑水肿的有效分子。通过计算机模拟鉴定出可阻断VEGF - A位点的新型候选分子,并通过拉氏图进行验证。利用Pocketfinder、CASTp和DogSiteScorer检测VEGF - A的活性位点残基。基于计算机模拟数据,检测了三种VEGF - A阻断剂(VAB)候选分子(VAB1、VAB2和VAB3)对缺氧(0.5% O₂)条件下N2a细胞活力的改善情况以及对VEGF水平的调控作用。此外,在雄性Sprague - Dawley大鼠中评估了最佳候选分子对7260米低压缺氧条件下脑水肿和血管渗漏的改善效果。所有实验结果均与市售VEGF阻断剂舒尼替尼进行比较。发现血管内皮生长因子 - A阻断剂1在提高缺氧(0.5%氧气)条件下N2a细胞的活力以及维持正常VEGF水平方面最为有效。与舒尼替尼治疗的大鼠相比,血管内皮生长因子 - A阻断剂1在低压缺氧条件下能有效恢复VEGF水平、减轻脑水肿并减少血管渗漏。血管内皮生长因子 - A阻断剂1可能是通过调节VEGF水平来改善低压缺氧诱导的血管源性脑水肿的一种有前景的候选分子。