In Silico Exploration and Experimental Validation of Camellia sinensis Extract against Rhipicephalus microplus and Sarcoptes scabiei: An Integrated Approach

doi:10.3390/life13102040

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標題:	In Silico Exploration and Experimental Validation of Camellia sinensis Extract against Rhipicephalus microplus and Sarcoptes scabiei: An Integrated Approach
作者:	Hakami, Mohammed Ageeli Malak, Nosheen Khan, Afshan Ullah, Hidayat Cossio-Bayugar, Raquel Nasreen, Nasreen Niaz, Sadaf Khan, Adil Chen, Chien-Chin
貢獻者:	Shaqra Univ, Coll Appl Med Sci, Dept Clin Lab Sci Abdul Wali Khan Univ Mardan, Dept Zool Ctr Nacl Invest Disciplinaria Salud Anim & Inocuid, INIFAP Bacha Khan Univ, Dept Zool & Bot Chia Yi Christian Hosp, Ditmanson Med Fdn, Dept Pathol Chia Nan Univ Pharm & Sci, Dept Cosmet Sci Natl Chung Hsing Univ, Rong Hsing Res Ctr Translat Med, PhD Program Translat Med Natl Cheng Kung Univ, Coll Biosci & Biotechnol, Dept Biotechnol & Bioind Sci
關鍵字:	Sarcoptes scabiei glutathione transferase Rhipicephalus microplus glutathione transferase molecular docking plant extract Camellia sinensis
日期:	2023
上傳時間:	2024-12-25 11:03:58 (UTC+8)
出版者:	MDPI
摘要:	Sarcoptes scabiei is an ectoparasite of humans and animals that causes scabies. The Rhipicephalus (Boophilus) microplus is a blood-sucking ectoparasite that transmits various pathogens. These two parasites have caused great losses to a country's dairy and agriculture sectors. The aim of this study was to determine the in vitro and in silico efficacy of Camellia sinensis plant extracts. Different concentrations of C. sinensis ethanolic plant extracts were prepared using the maceration method and were used against mites and ticks (in adult immersion test AIT and larval packet test LPT) to evaluate their in vitro acaricidal activity. Additionally, in silico molecular docking was performed to investigate the inhibitory interactions between the phytochemicals of the plant and S. scabiei and R. microplus glutathione transferase proteins (SsGST and RmGST). This study observed that the plant extract showed high efficacy in vitro against mites and different tick stages in adult immersion and larval packet tests. Additionally, the in silico study revealed a strong binding interaction between ellagic acid and SsGST protein, with a binding energy of -7.3 kcal/mol, with respect to permethrin (-6.7 kcal/mol), whereas quercetin and RmGST resulted in a docking score of -8.6 kcal/mol compared to deltamethrin (-8.2 kcal/mol). Overall, this study explored the potential of C. sinensis as a natural alternative for controlling tick and mite infestations and provided insights into the inhibitory mechanisms of its phytochemicals.
關聯:	Life-Basel, v.13, n.10, Article 2040
显示于类别:	[行政單位] 456

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