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Prediction of agonist, partial agonist and full antagonist of H. pylori TlpB utilizing molecular docking
Indian Journal of Chemistry, Section B Pub Date : 2020-06-22
Mohit Kumar, Sisir Nandi

Helicobacter pylori infections are one of the major issues that produce gastric and duodenal ulcers due to chronic gastritis. Deforestation and global warming may cause ecological imbalance followed by climatic change due to enhanced temperature. This may contribute to abdominal discomfort and gastritis specifically in case of in taking a lot of non-vegetables, fast and junk foods, oily and spicy foods. H. pylori, which is asymptomatic for almost 80% of people’s gastrointestinal tract (G.I.T.), may be stimulated due to chronic gastritis. It has been associated with colorectal polyps and cancer, if not treated well. Therefore, attention has been paid to predict some urea compounds as H. pylori antagonists utilizing structure-based molecular docking. Earlier reports of such work do not exist.

中文翻译:

利用分子对接预测幽门螺杆菌TlpB的激动剂,部分激动剂和完全拮抗剂

幽门螺杆菌感染是由于慢性胃炎而引起胃和十二指肠溃疡的主要问题之一。森林砍伐和全球变暖可能会导致生态失衡,然后由于温度升高而导致气候变化。特别是在摄入大量非蔬菜,快餐和垃圾食品,油性和辛辣食品的情况下,这可能会导致腹部不适和胃炎。幽门螺杆菌对几乎80%的胃肠道(GIT)无症状,可能由于慢性胃炎而受到刺激。如果治疗不当,它与大肠息肉和癌症有关。因此,注意预测某些尿素化合物为幽门螺杆菌拮抗剂利用基于结构的分子对接。没有此类工作的早期报道。
更新日期:2020-07-28
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