Integrated Phytochemical Profiling, GC-MS Characterization, and In Silico, In Vitro Evaluation of Synergistic Antimicrobial, Antioxidant, and Anti-Inflammatory Activities of Morus alba Bark and Pinus densiflora Extracts with Methyl Gallate.

IF 6.6 2区 医学 Q1 BIOCHEMISTRY & MOLECULAR BIOLOGY
Muhammad Aleem Abbas, Ga-Yeong Lee, Syed Al Jawad Sayem, Seung-Jin Lee, Seung-Chun Park
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Abstract

The growing challenge of antibiotic resistance and inflammation-related disorders calls for safe, multi-target therapeutic strategies. Morus alba (MOAL) and Pinus densiflora (PIDE) are known for their medicinal properties, yet their combined potential with methyl gallate (MG) has not been fully explored. In this study, the phytochemical composition of MOAL and PIDE was characterized using GC-MS, and their combined antimicrobial, antioxidant, and anti-inflammatory activities were evaluated. Hydroethanolic extracts were prepared and assessed for antioxidant activity (DPPH assay), antibacterial activity (disk diffusion, MIC, time kill), and nitric oxide (NO) suppression in Lipopolysaccharide (LPS)-stimulated macrophages, alongside MTT cytotoxicity screening. MOAL exhibited a higher extraction efficiency, reaching 500 mg/mL at 4 h, whereas Pinus achieved 450 mg/mL at the same time point. Both exhibited a diverse and abundant phytochemical profile. The optimized blend (MOAL:PIDE:MG, 1:1:0.1) demonstrated significantly enhanced bioactivity, with over 90% DPPH scavenging with the low IC50 value (66.62 mg/mL), potent inhibition of both Gram-positive and Gram-negative bacteria, and the strongest effect against Staphylococcus aureus (264 μg/mL). Time-kill assays confirmed rapid bactericidal action, and NO production was reduced by approximately 75% without cytotoxicity. Molecular docking identified a lead multi-target compound exhibiting strong binding affinities to COX-2, TNF-α, and Keap1, supporting its observed anti-inflammatory and antioxidant potential. These findings highlight the promise of synergistic phytochemical formulations as broad-spectrum, multifunctional therapeutic candidates, supporting further in vivo and clinical validation.

综合植物化学分析、气相色谱-质谱表征以及含没食子酸甲酯的桑树皮和密松提取物协同抗菌、抗氧化和抗炎活性的体外评价
抗生素耐药性和炎症相关疾病日益严峻的挑战需要安全、多靶点的治疗策略。Morus alba (MOAL)和Pinus densiflora (PIDE)以其药用价值而闻名,但它们与没食子酸甲酯(MG)的联合潜力尚未得到充分的探索。本研究利用GC-MS对MOAL和PIDE的植物化学成分进行了表征,并对其抗菌、抗氧化和抗炎活性进行了综合评价。制备氢乙醇提取物,并对脂多糖(LPS)刺激的巨噬细胞进行抗氧化活性(DPPH测定)、抗菌活性(磁盘扩散、MIC、时间杀伤)和一氧化氮(NO)抑制,同时进行MTT细胞毒性筛选。MOAL在4 h的提取效率达到500 mg/mL,而Pinus在同一时间点的提取效率为450 mg/mL。两者均表现出丰富多样的植物化学特征。优化后的混合物(MOAL:PIDE:MG, 1:1:0.1)的生物活性显著增强,对DPPH的清除率超过90%,IC50值较低(66.62 MG /mL),对革兰氏阳性菌和革兰氏阴性菌均有较强的抑制作用,对金黄色葡萄球菌的抑制作用最强(264 μg/mL)。时间杀伤试验证实了快速杀菌作用,NO的产生减少了约75%,而没有细胞毒性。分子对接发现了一种与COX-2、TNF-α和Keap1具有强结合亲和力的先导多靶点化合物,支持其观察到的抗炎和抗氧化潜力。这些发现强调了协同植物化学制剂作为广谱、多功能治疗候选药物的前景,支持进一步的体内和临床验证。
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来源期刊
Antioxidants
Antioxidants Biochemistry, Genetics and Molecular Biology-Physiology
CiteScore
10.60
自引率
11.40%
发文量
2123
审稿时长
16.3 days
期刊介绍: Antioxidants (ISSN 2076-3921), provides an advanced forum for studies related to the science and technology of antioxidants. It publishes research papers, reviews and communications. Our aim is to encourage scientists to publish their experimental and theoretical results in as much detail as possible. There is no restriction on the length of the papers. The full experimental details must be provided so that the results can be reproduced. Electronic files and software regarding the full details of the calculation or experimental procedure, if unable to be published in a normal way, can be deposited as supplementary electronic material.
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