已对天然产物作为植物化合物的来源进行了复兴,以用作针对传染病的替代治疗。在这种情况下,我们旨在使用体外和计算方法研究Ziziphus蜂蜜(ZH)对12种临床细菌菌株以及几种酵母和霉菌的抗菌潜力。良好扩散测定显示ZH能够诱导大多数革兰氏阳性和革兰氏阴性细菌的生长抑制。在大肠杆菌(临床菌株,217),金黄色葡萄球菌,然后是大肠杆菌ATCC10536(mGIZ值:41.00±1mm,40.67±0.57mm,34.67±0.57毫米,分别)。最小杀菌浓度(MBC)和最小杀真菌浓度值(MFC)从约266.33mg/mL到超过532.65mg/mL。分子对接结果表明,鉴定的化合物麦芽糖,2-糠酸,异丙酯,2,4-咪唑烷二酮,5-(2-甲基丙基)-(S)-和3,4,5-三羟基甲苯,S-甲基-L-半胱氨酸,2-呋喃羧酸,L-缬氨酸-N-乙氧基羰基,己酸,3,5,5-三甲基-,甲基-β-D-硫代半乳糖苷,γ-谷甾醇,d-甘露糖,4-O-甲基甘露糖,2,4-咪唑烷二酮,发现5-(2-甲基丙基)-(S)对靶向受体具有良好的亲和力,分别。通过100-ns的动态仿真研究,证实了有希望的植物化学物质与所研究酶的活性残基之间的结合相互作用和稳定性。所有鉴定的化合物的ADMET分析显示,它们中的大多数可以被认定为具有良好吸收和渗透的生物活性。总的来说,结果强调了ZH对所测试的临床致病菌株的有效性.所鉴定的化合物显示的抗微生物潜力和效力可能暗示其进一步的药理学应用。由RamaswamyH.Sarma沟通。
A revival interest has been given to natural products as sources of phytocompounds to be used as alternative treatment against infectious diseases. In this context, we aimed to investigate the antimicrobial potential of Ziziphus honey (ZH) against twelve clinical bacterial strains and several yeasts and molds using in vitro and computational approaches. The well-diffusion assay revealed that ZH was able to induce growth inhibition of most Gram-positive and Gram-negative bacteria. The high mean growth inhibition zone (mGIZ) was recorded in E. coli (Clinical strain, 217), S. aureus followed by E. coli ATCC 10536 (mGIZ values: 41.00 ± 1 mm, 40.67 ± 0.57 mm, and 34.67 ± 0.57 mm, respectively). The minimal bactericidal concentrations (MBCs) and minimal fungicidal concentration values (MFCs) from approximately 266.33 mg/mL to over 532.65 mg/mL. Molecular docking results revealed that the identified compounds maltose, 2-furoic acid, isopropyl ester, 2,4-imidazolidinedione, 5-(2-methylpropyl)-(S)- and 3,4,5-trihydroxytoluene, S-Methyl-L-Cysteine, 2-Furancarboxylic acid, L-Valine-N-ethoxycarbonyl, Hexanoic acid, 3,5,5-trimethyl-, Methyl-beta-D-thiogalactoside, gamma-Sitosterol, d-Mannose, 4-O-Methylmannose, 2,4-Imidazolidinedione, 5-(2-methylpropyl)- (S) were found to have good affinity for targeted receptor, respectively. Through a 100-ns dynamic simulation research, binding interactions and stability between promising phytochemicals and the active residues of the studied enzymes were confirmed. The ADMET profiling of all identified compounds revealed that most of them could be qualified as biologically active with good absorption and permeation. Overall, the results highlighted the efficiency of ZH against the tested clinical pathogenic strains. The antimicrobial potential and the potency displayed by the identified compounds could imply their further pharmacological applications.Communicated by Ramaswamy H. Sarma.