Saeed Mohd, Imran Mohd, Baig Mohd Hassan, Kausar Mohd Adnan, Shahid Sma, Ahmad Irfan
Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, University of Hail, KSA.
Department of Biophysics, All India Institute of Medical Sciences, Ansari nagar, New Delhi, 110029, India.
Cell Mol Biol (Noisy-le-grand). 2018 Oct 30;64(13):69-73.
Glutathione-S-transferase also referred as GST is one of the major detoxification enzymes in parasitic helminths. The crucial role played by GST in various chronic infections has been well reported. The dependence of nematodes on detoxification enzymes to maintain their survival within the host established the crucial role of GST in filariasis and other related diseases. Hence, this well-established role of GST in filariasis along with its greater nonhomology with its human counterpart makes it an important therapeutic drug target. Here in this study, we have tried to explore the inhibitory potential of some of the well-reported natural ant-filarial compounds against the GST from Wuchereria bancrofti (W.bancrofti) and Brugia malayi (B.malayi). In silico virtual screening, approach was used to screen the selected natural compounds against GST from W.bancrofti and B.malayi. On the basis of our results, here we are reporting some of the natural compounds which were found to be very effective against GSTs. Along with we have also revealed the characteristic of the active site of BmGST and WbGST and the role of important active site residues involve in the binding of natural compounds within the active site of GSTs. This information will oped doors for using natural compounds as anti-filarial therapy and will also be helpful for future drug discovery.
谷胱甘肽 - S - 转移酶（也称为GST）是寄生蠕虫中的主要解毒酶之一。GST在各种慢性感染中所起的关键作用已有大量报道。线虫依赖解毒酶在宿主体内存活，这确立了GST在丝虫病和其他相关疾病中的关键作用。因此，GST在丝虫病中已确立的这一作用，以及它与人类对应物的高度非同源性，使其成为一个重要的治疗药物靶点。在本研究中，我们试图探索一些已报道的天然抗丝虫化合物对班氏吴策线虫（W.bancrofti）和马来布鲁线虫（B.malayi）的GST的抑制潜力。采用计算机虚拟筛选方法，筛选所选天然化合物对W.bancrofti和B.malayi的GST的作用。基于我们的结果，在此我们报告一些被发现对GST非常有效的天然化合物。同时，我们还揭示了BmGST和WbGST活性位点的特征，以及重要活性位点残基在GST活性位点内天然化合物结合中的作用。这些信息将为使用天然化合物作为抗丝虫治疗打开大门，也将有助于未来的药物发现。
