PDF(Pubmed)
Abstract：
Neisseria gonorrhoeae, a World Health Organization (WHO) declared superbug and the second-most frequent cause of bacterial sexually transmitted infections worldwide is responsible for gonorrhea. Hypothetical proteins are gene products that are predicted to be encoded by a particular gene based on the DNA sequence, but their specific functions and characteristics have not been experimentally determined or verified. In the context of this research, annotating hypothetical proteins is crucial for identifying their potential as therapeutic targets. Without proper annotation, these proteins would remain vague, hindering efforts to understand their roles in disease. The methodology used aims to bridge this gap by employing algorithm-based tools and software to annotate hypothetical proteins and assess their suitability as therapeutic targets based on factors such as essentiality, virulence, subcellular localization, and druggability. Out of 716 N. gonorrhoeae hypothetical proteins reported in UniProt, assessment of crucial pathogenic factors, including essentiality, virulence, subcellular localization, and druggability, effectively filtered and prioritized the hypothetical proteins for further therapeutic exploration and lead to 5 proteins being chosen as targets. The molecular docking studies conducted identified 10 hits targeting the five targets. Conclusively, this study aided in identification of targets and hit compounds for therapeutic targeting of gonorrhea disease.
UNASSIGNED:
UNASSIGNED: The online version contains supplementary material available at 10.1007/s40203-023-00186-w.
UNASSIGNED:
UNASSIGNED: The online version contains supplementary material available at 10.1007/s40203-023-00186-w.
摘要：
淋病奈瑟菌,世界卫生组织(世卫组织)宣布超级病菌是全球细菌性性传播感染的第二常见原因，是淋病的原因。假设蛋白质是基因产物，根据DNA序列预测由特定基因编码，但是它们的特定功能和特性尚未通过实验确定或验证。在本研究的背景下，注释假设的蛋白质对于识别其作为治疗靶标的潜力至关重要。没有适当的注释，这些蛋白质会保持模糊，阻碍了理解它们在疾病中的作用的努力。所使用的方法旨在通过采用基于算法的工具和软件来注释假设的蛋白质并根据诸如必要性等因素评估其作为治疗靶标的适用性来弥合这一差距。毒力,亚细胞定位，和可吸毒性。在UniProt报告的716个淋病奈瑟菌假设蛋白中，评估关键致病因素，包括必要性，毒力,亚细胞定位，和可药用性，有效地过滤并优先考虑假设的蛋白质以进行进一步的治疗探索，并导致5种蛋白质被选为靶标。进行的分子对接研究确定了针对五个目标的10个命中。最后，这项研究有助于确定淋病治疗靶点和靶向化合物。
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■在线版本包含补充材料，可在10.1007/s40203-023-00186-w获得。
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■在线版本包含补充材料，可在10.1007/s40203-023-00186-w获得。
