In silico investigation and experimental validation of pistagremic acid isolated from Pistacia integerrima against Rhipicephalus microplus and Sarcoptes scabiei
Rhipicephalus microplus and Sarcoptes scabiei are major ectoparasites affecting both humans and animals, causing significant economic losses to the dairy and agricultural sectors. This study aimed to evaluate the in vitro and in silico efficacy of pistagremic acid (PA), a natural compound isolated f...
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| Format: | Article |
| Language: | English |
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Elsevier
2025-01-01
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| Series: | Current Research in Parasitology and Vector-Borne Diseases |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667114X25000561 |
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| author | Imtiaz Ahmad Rahaf Ajaj Abdur Rauf Adil Khan Nosheen Malak Saima Naz Zubair Ahmad |
| author_facet | Imtiaz Ahmad Rahaf Ajaj Abdur Rauf Adil Khan Nosheen Malak Saima Naz Zubair Ahmad |
| author_sort | Imtiaz Ahmad |
| collection | DOAJ |
| description | Rhipicephalus microplus and Sarcoptes scabiei are major ectoparasites affecting both humans and animals, causing significant economic losses to the dairy and agricultural sectors. This study aimed to evaluate the in vitro and in silico efficacy of pistagremic acid (PA), a natural compound isolated from Pistacia integerrima, against these parasites. Different concentrations of the compound were tested using the adult immersion test (AIT) and larval packet test (LPT) to assess their in vitro effects on mites and various tick life stages. Molecular docking was conducted to examine the interactions of PA with glutathione S-transferases (GSTs) of S. scabiei and R. microplus proteins. The results demonstrated high in vitro acaricidal activity, with significant efficacy in both AIT and LPT assays. In silico studies identified PA as a key bioactive compound, showing strong binding interactions with S. scabiei GST (binding energy: 10.0 kcal/mol) compared to permethrin (−8.1 kcal/mol) and with R. microplus GST (docking score: 7.8 kcal/mol) compared to ivermectin (−8.3 kcal/mol). Overall, PA shows strong potential as a plant-derived alternative for managing tick and mite infestations, supporting its further exploration as a novel acaricidal agent. |
| format | Article |
| id | doaj-art-4320e424cd0d494babbbf08624ba98a5 |
| institution | DOAJ |
| issn | 2667-114X |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Current Research in Parasitology and Vector-Borne Diseases |
| spelling | doaj-art-4320e424cd0d494babbbf08624ba98a52025-08-20T03:01:46ZengElsevierCurrent Research in Parasitology and Vector-Borne Diseases2667-114X2025-01-01810029610.1016/j.crpvbd.2025.100296In silico investigation and experimental validation of pistagremic acid isolated from Pistacia integerrima against Rhipicephalus microplus and Sarcoptes scabieiImtiaz Ahmad0Rahaf Ajaj1Abdur Rauf2Adil Khan3Nosheen Malak4Saima Naz5Zubair Ahmad6Department of Botany and Zoology, Bacha Khan University Charsadda, Charsadda, 24420, PakistanDepartment of Environmental and Public Health, College of Health Sciences, Abu Dhabi University, Abu Dhabi, United Arab Emirates; Corresponding author.Department of Chemistry, University of Swabi, Anbar, Swabi, 23430, Khyber Pakhtunkhwa (K.P.), Pakistan; Corresponding author.Department of Botany and Zoology, Bacha Khan University Charsadda, Charsadda, 24420, PakistanDepartment of Zoology, Abdul Wali Khan University Mardan, Mardan, 23200, PakistanInstitute of Biotechnology & Microbiology at Bacha Khan University Charsadda (BKUC), Charsadda, 24420, PakistanDepartment of Chemistry, University of Swabi, Anbar, Swabi, 23430, Khyber Pakhtunkhwa (K.P.), PakistanRhipicephalus microplus and Sarcoptes scabiei are major ectoparasites affecting both humans and animals, causing significant economic losses to the dairy and agricultural sectors. This study aimed to evaluate the in vitro and in silico efficacy of pistagremic acid (PA), a natural compound isolated from Pistacia integerrima, against these parasites. Different concentrations of the compound were tested using the adult immersion test (AIT) and larval packet test (LPT) to assess their in vitro effects on mites and various tick life stages. Molecular docking was conducted to examine the interactions of PA with glutathione S-transferases (GSTs) of S. scabiei and R. microplus proteins. The results demonstrated high in vitro acaricidal activity, with significant efficacy in both AIT and LPT assays. In silico studies identified PA as a key bioactive compound, showing strong binding interactions with S. scabiei GST (binding energy: 10.0 kcal/mol) compared to permethrin (−8.1 kcal/mol) and with R. microplus GST (docking score: 7.8 kcal/mol) compared to ivermectin (−8.3 kcal/mol). Overall, PA shows strong potential as a plant-derived alternative for managing tick and mite infestations, supporting its further exploration as a novel acaricidal agent.http://www.sciencedirect.com/science/article/pii/S2667114X25000561Rhipicephalus microplusSarcoptes scabieiAcaricidal efficacyGlutathione S-Transferase proteinMolecular docking activity |
| spellingShingle | Imtiaz Ahmad Rahaf Ajaj Abdur Rauf Adil Khan Nosheen Malak Saima Naz Zubair Ahmad In silico investigation and experimental validation of pistagremic acid isolated from Pistacia integerrima against Rhipicephalus microplus and Sarcoptes scabiei Current Research in Parasitology and Vector-Borne Diseases Rhipicephalus microplus Sarcoptes scabiei Acaricidal efficacy Glutathione S-Transferase protein Molecular docking activity |
| title | In silico investigation and experimental validation of pistagremic acid isolated from Pistacia integerrima against Rhipicephalus microplus and Sarcoptes scabiei |
| title_full | In silico investigation and experimental validation of pistagremic acid isolated from Pistacia integerrima against Rhipicephalus microplus and Sarcoptes scabiei |
| title_fullStr | In silico investigation and experimental validation of pistagremic acid isolated from Pistacia integerrima against Rhipicephalus microplus and Sarcoptes scabiei |
| title_full_unstemmed | In silico investigation and experimental validation of pistagremic acid isolated from Pistacia integerrima against Rhipicephalus microplus and Sarcoptes scabiei |
| title_short | In silico investigation and experimental validation of pistagremic acid isolated from Pistacia integerrima against Rhipicephalus microplus and Sarcoptes scabiei |
| title_sort | in silico investigation and experimental validation of pistagremic acid isolated from pistacia integerrima against rhipicephalus microplus and sarcoptes scabiei |
| topic | Rhipicephalus microplus Sarcoptes scabiei Acaricidal efficacy Glutathione S-Transferase protein Molecular docking activity |
| url | http://www.sciencedirect.com/science/article/pii/S2667114X25000561 |
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