当前位置：
X-MOL 学术
›
RSC Med. Chem.
›
论文详情
Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
Synthesis and molecular docking studies of xanthone attached amino acids as potential antimicrobial and anti-inflammatory agents
RSC Medicinal Chemistry ( IF 4.1 ) Pub Date : 2017-07-26 00:00:00 , DOI: 10.1039/c7md00209b Xing Chen 1 , Jing Leng 1 , K P Rakesh 1, 2 , N Darshini 2 , T Shubhavathi 2 , H K Vivek 3 , N Mallesha 2 , Hua-Li Qin 1
RSC Medicinal Chemistry ( IF 4.1 ) Pub Date : 2017-07-26 00:00:00 , DOI: 10.1039/c7md00209b Xing Chen 1 , Jing Leng 1 , K P Rakesh 1, 2 , N Darshini 2 , T Shubhavathi 2 , H K Vivek 3 , N Mallesha 2 , Hua-Li Qin 1
Affiliation
|
A series of novel xanthone conjugated amino acids were synthesised and characterised by analytical and spectroscopic methods. All the synthesized analogues (2–23) were screened for their in vitro antimicrobial and anti-inflammatory activities. Compounds 7, 8, 9, 12, 18, 19, 20, 21 and 23 showed excellent antimicrobial activities compared to antibacterial and antifungal reference drugs gentamicin and bavistin, respectively. Compounds 7–12 and 18–23 showed good anti-inflammatory activity compared to a standard drug, indomethacin. The preliminary structure–activity relationship revealed that tryptophan, tyrosine, phenylalanine, proline and cysteine conjugated compounds showed excellent antimicrobial and anti-inflammatory activities. This may be explained by the contribution of aromaticity and hydrophobicity of amino acids. Molecular docking studies were performed for all the synthesised compounds, among which compounds 20, 21 and 23 showed the highest docking scores for antimicrobial activity while compounds 9, 20 and 22 showed the highest docking scores for anti-inflammatory activity. Different amino acids conjugated xanthone derivatives were synthesized and evaluated for their in vitro biological activities. The conjugation was found to play a major role in improving the biological activities of those compounds.
中文翻译：
氧杂蒽酮连接氨基酸作为潜在抗菌和抗炎剂的合成和分子对接研究
合成了一系列新型呫吨酮共轭氨基酸，并通过分析和光谱方法进行了表征。所有合成的类似物（ 2-23 ）均经过体外抗菌和抗炎活性筛选。与抗菌和抗真菌参考药物庆大霉素和巴维汀相比，化合物7、8、9、12、18、19、20、21和23分别显示出优异的抗菌活性。与标准药物吲哚美辛相比，化合物7-12和18-23显示出良好的抗炎活性。初步构效关系表明，色氨酸、酪氨酸、苯丙氨酸、脯氨酸和半胱氨酸缀合化合物表现出优异的抗菌和抗炎活性。这可以通过氨基酸的芳香性和疏水性的贡献来解释。对所有合成的化合物进行了分子对接研究，其中化合物20、21和23显示出最高的抗菌活性对接分数，而化合物9、20和22显示出最高的抗炎活性对接分数。合成了不同氨基酸缀合的呫吨酮衍生物并评估了它们的体外生物活性。发现缀合在改善这些化合物的生物活性方面发挥着重要作用。
更新日期：2017-07-28
中文翻译：
氧杂蒽酮连接氨基酸作为潜在抗菌和抗炎剂的合成和分子对接研究
合成了一系列新型呫吨酮共轭氨基酸，并通过分析和光谱方法进行了表征。所有合成的类似物（ 2-23 ）均经过体外抗菌和抗炎活性筛选。与抗菌和抗真菌参考药物庆大霉素和巴维汀相比，化合物7、8、9、12、18、19、20、21和23分别显示出优异的抗菌活性。与标准药物吲哚美辛相比，化合物7-12和18-23显示出良好的抗炎活性。初步构效关系表明，色氨酸、酪氨酸、苯丙氨酸、脯氨酸和半胱氨酸缀合化合物表现出优异的抗菌和抗炎活性。这可以通过氨基酸的芳香性和疏水性的贡献来解释。对所有合成的化合物进行了分子对接研究，其中化合物20、21和23显示出最高的抗菌活性对接分数，而化合物9、20和22显示出最高的抗炎活性对接分数。合成了不同氨基酸缀合的呫吨酮衍生物并评估了它们的体外生物活性。发现缀合在改善这些化合物的生物活性方面发挥着重要作用。
京公网安备 11010802027423号