关键词: Molecular docking QSAR Trematoda Veitchia merillii

来  源:   DOI:10.14202/vetworld.2024.1336-1347   PDF(Pubmed)

Abstract:
UNASSIGNED: The potential of plants as anthelmintics is very large, but there is still very little research conducted in the search for effective, safe, easily obtained, and affordable anthelmintic candidates. Palem putri (Veitchia merrillii) is an ornamental plant that is interesting to study because it is included in the areca nut group which is reported to have strong abilities as anthelmintics. The study aims to evaluate the anthelmintic efficacy of Veitchia merrillii against trematode worms such as Paramphistomum spp. and Fasciola hepatica.
UNASSIGNED: This research employs both in vitro and computational techniques. An anthelmintic in vitro test was carried out on Paramphistomum spp. worms at concentrations of 10%, 25%, and 40% (gr/v), assessing mortality index as the observable outcome, followed by a histopathological investigation of the deceased worms for tissue and cellular damage evaluation. Seventeen compounds from V. merrillii seeds were studied in silico for their anthelmintic activity against F. hepatica worms using the quantitative structure-activity relationship technique, molecular docking, and Lipinski\'s rule analysis for orally administered medication.
UNASSIGNED: About 25% and 40% extracts of V. merrillii damaged the tegument organs in the worms. Seventeen compounds in V. merrillii seed extract, on average, yielded a higher anthelmintic index on F. hepatica than praziquantel. Eleven of the 17 compounds exhibit stronger affinity than praziquantel, with routine and gallic acid being the top two ligands (∆Gbinding values: -11.65 kcal/mol and -11.07 kcal/mol, respectively). According to Lipinski\'s rule analysis, only routine compounds cannot be orally administered.
UNASSIGNED: The seeds of V. merrilli have potential as an anthelmintic agent for Paramphistomum spp. at concentrations of 25%-40% (gr/v).
摘要:
植物作为驱虫药的潜力非常大,但是在寻找有效的,安全,容易获得,和负担得起的驱虫药。Palemputri(Veitchiamerrillii)是一种观赏植物,值得研究,因为它包括在槟榔组中,据报道具有很强的驱虫能力。该研究旨在评估Veitchiamerrillii对吸虫蠕虫的驱虫功效,例如两栖动物。和肝片吸虫。
这项研究采用了体外和计算技术。对两栖动物进行了驱虫体外试验。浓度为10%的蠕虫,25%,和40%(gr/v),评估死亡率指数作为可观察的结果,随后对死亡的蠕虫进行组织病理学调查,以进行组织和细胞损伤评估。使用定量结构-活性关系技术,在计算机上研究了来自五子花种子的17种化合物对肝虫的驱虫活性。分子对接,和Lipinski对口服药物的规律分析。
大约25%和40%的梅里氏菌提取物破坏了蠕虫的外皮器官。17种化合物在五倍子种子提取物,平均而言,肝菌的驱虫指数高于吡喹酮。17种化合物中有11种表现出比吡喹酮更强的亲和力,其中常规和没食子酸是前两个配体(ΔG结合值:-11.65kcal/mol和-11.07kcal/mol,分别)。根据Lipinski的规则分析,只有常规化合物不能口服给药。
金雀花的种子具有作为两栖动物的驱虫药的潜力。浓度为25%-40%(gr/v)。
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