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：

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蒽酮类氨基酸作为潜在抗菌剂和消炎剂的合成和分子对接研究

合成了一系列新颖的x吨酮共轭氨基酸，并通过分析和光谱方法对其进行了表征。筛选所有合成的类似物（2-23）的体外抗菌和抗炎活性。化合物7，8，9，12，18，19，20，21和23表现出优异的抗微生物活性相比抗菌和抗真菌的药物参考庆大霉素和bavistin，分别。化合物7-12和18-23与标准药物消炎痛相比，它具有良好的抗炎活性。初步的结构-活性关系表明，色氨酸，酪氨酸，苯丙氨酸，脯氨酸和半胱氨酸结合的化合物具有出色的抗菌和消炎活性。这可以通过氨基酸的芳香性和疏水性的贡献来解释。对于所有进行分子对接研究中合成的化合物，其中化合物20，21和23显示出最高的对接得分抗微生物活性，而化合物9，20和22表现出最高的抗炎活性对接分数。合成了不同氨基酸缀合的x吨酮衍生物，并对其体外生物活性进行了评估。发现该缀合物在改善那些化合物的生物活性中起主要作用。