Rahman Md Mashiar, Al Noman Md Abdullah, Khatun Shapla, Alam Rahat, Shetu Md Mahade Hasan, Talukder Enamul Kabir, Imon Raihan Rahman, Biswas Md Yaman, Anis-Ul-Haque K M, Uddin Mohammad Jashim, Akhter Shahina
Molecular and Cellular Biology Laboratory, Department of Genetic Engineering and Biotechnology, Jashore University of Science and Technology, Jashore 7408, Bangladesh.
Department of Chemistry, Jashore University of Science and Technology, Jashore 7408, Bangladesh.
Heliyon. 2023 Jan 19;9(1):e12855. doi: 10.1016/j.heliyon.2023.e12855. eCollection 2023 Jan.
(L.) Roxb. is an ethno-medicinal herb used by rural and tribal people of the Satpura region of Madhya Pradesh in India and the Phatthalung Province of Thailand for treating rheumatism, bronchitis, ringworm, itches, leprosy, dyspepsia, liver disorders and heart disorders. It is also used in Chinese and Ayurvedic medicine. This study was conducted to investigate the potential of (L.) Roxb. as a source of drug candidates against oxidants, inflammation, and bacterial infection. Preliminary phytochemical screening (PPS) and GC-MS were performed to identify the phytochemicals in the ethyl acetate extract of (L.) Roxb. leaves (EAESTL). The antioxidant activity was assessed by 2,2-diphenyl-1-picrylhydrazyl (DPPH)- and HO-scavenging tests; the anti-inflammatory activity was determined by bovine serum albumin (BSA) denaturation and red blood cell (RBC) hemolysis inhibition; and the antibacterial activity was evaluated by agar-well diffusion methods. Cytotoxicity was estimated by larvae lethality, while acute toxicity was evaluated by oral delivery of the extract to mice. antioxidant, anti-inflammatory, and antibacterial activities were predicted by the Prediction of Activity Spectra for Substances (PASS) program. The pharmacokinetics related to ADME and toxicity tests were determined by the admetSAR2 and ADMETlab2 web servers, and drug-able properties were assessed by the SwissADME server. GC-MS detected fifty-nine phytochemicals that support the types of compounds (phenols, flavonoids, tannins, terpenoids, saponins, steroids, alkaloids, glycosides and reducing sugar) identified by phytochemical screening. EAESTL exhibited dose-dependent antioxidant, anti-inflammatory, and antibacterial activities without any adverse effects or fluctuations in body weight. The PASS program predicted that the identified phytochemicals have antioxidant, anti-inflammatory and antibacterial activities. Among 51 phytochemicals, 16 showed good ADME, and 8 fulfilled drug-able properties without toxicity. Altogether, four phytochemicals, viz., benzyl alcohol, 3-(hydroxy-phenyl-methyl)-2,3-dimethyl-octan-4-one, phenylethyl alcohol and 2,6,6-trimethylbicyclo [3.1.1] heptane-3-ol, showed good pharmacokinetics and drug-able properties without toxicity, along with antioxidant, anti-inflammatory, and antibacterial activities. The obtained results suggest that (L.) Roxb. leaves contain bioactive phytochemicals that have the potential to fight against oxidants, inflammation, and bacterial infection as potential drug candidates.
（L.）Roxb.是一种民族药用草本植物，印度中央邦萨特普拉地区以及泰国博他伦府的农村和部落居民用其治疗风湿病、支气管炎、癣、瘙痒、麻风病、消化不良、肝脏疾病和心脏疾病。它也用于中医和阿育吠陀医学。本研究旨在调查（L.）Roxb.作为抗氧化剂、抗炎和抗细菌感染候选药物来源的潜力。进行了初步植物化学筛选（PPS）和气相色谱 - 质谱联用（GC - MS）以鉴定（L.）Roxb.叶片乙酸乙酯提取物（EAESTL）中的植物化学物质。通过2,2 - 二苯基 - 1 - 苦基肼（DPPH）和羟基自由基清除试验评估抗氧化活性；通过牛血清白蛋白（BSA）变性和红细胞（RBC）溶血抑制测定抗炎活性；通过琼脂孔扩散法评估抗菌活性。通过幼虫致死率估计细胞毒性，而通过向小鼠口服提取物评估急性毒性。通过物质活性谱预测（PASS）程序预测抗氧化、抗炎和抗菌活性。通过admetSAR2和ADMETlab2网络服务器确定与药物代谢动力学（ADME）和毒性试验相关的参数，并通过SwissADME服务器评估成药特性。GC - MS检测到59种植物化学物质，支持植物化学筛选鉴定出的化合物类型（酚类、黄酮类、单宁类、萜类、皂苷类、甾体类、生物碱类、糖苷类和还原糖）。EAESTL表现出剂量依赖性的抗氧化、抗炎和抗菌活性，且对体重无任何不良影响或波动。PASS程序预测所鉴定的植物化学物质具有抗氧化、抗炎和抗菌活性。在51种植物化学物质中，16种显示出良好的ADME特性，8种具有成药特性且无毒性。总共，四种植物化学物质，即苯甲醇、3 - （羟基 - 苯基 - 甲基） - 2,3 - 二甲基 - 辛烷 - 4 - 酮、苯乙醇和2,6,6 - 三甲基双环[3.1.1]庚烷 - 3 - 醇，显示出良好的药物代谢动力学和成药特性且无毒性，同时具有抗氧化、抗炎和抗菌活性。所得结果表明，（L.）Roxb.叶片含有具有生物活性的植物化学物质，有可能作为潜在的候选药物对抗氧化剂、炎症和细菌感染。
