In Silico and In Vivo Evaluation of Synthesized SCP-2 Inhibiting Compounds on Life Table Parameters of <i>Helicoverpa armigera</i> (Hübner)
For environment-friendly, safe and nonpersistent chemical control of a significant polyphagous insect pest, <i>Helicoverpa armigera</i>, discovery of growth-regulating xenobiotics can offer a sustainable alternative to conventional insecticides. For this purpose, chemically synthesized c...
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-12-01
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| Series: | Insects |
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| Online Access: | https://www.mdpi.com/2075-4450/13/12/1169 |
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| author | Qamar Saeed Faheem Ahmad Numan Yousaf Haider Ali Syed Azhar Ali Shah Tirmazi Abdulrahman Alshammari Naeema Kausar Mahmood Ahmed Muhammad Imran Muhammad Jamshed Metab Alharbi Muhammad Muddassar |
| author_facet | Qamar Saeed Faheem Ahmad Numan Yousaf Haider Ali Syed Azhar Ali Shah Tirmazi Abdulrahman Alshammari Naeema Kausar Mahmood Ahmed Muhammad Imran Muhammad Jamshed Metab Alharbi Muhammad Muddassar |
| author_sort | Qamar Saeed |
| collection | DOAJ |
| description | For environment-friendly, safe and nonpersistent chemical control of a significant polyphagous insect pest, <i>Helicoverpa armigera</i>, discovery of growth-regulating xenobiotics can offer a sustainable alternative to conventional insecticides. For this purpose, chemically synthesized compounds to inhibit sterol carrier protein (SCP-2) function using in silico and in vivo assays were evaluated to estimate their impact on the survivals and lifetable indices of <i>H. armigera</i>. From nine chemically synthesized compounds, OA-02, OA-06 and OA-09 were selected for this study based on binding poses mimicking cholesterol, a natural substrate of sterol carrier protein and molecular dynamics simulations. In vivo bioassays revealed that all compounds significantly reduced the larval and pupal weight accumulations and stadia lengths. Subsequently, the pupal periods were prolonged upon treatment with higher doses of the selected compounds. Moreover, OA-09 significantly reduced pupation and adult emergence rates as well as the fertility of female moths; however, fecundity remained unaffected, in general. The life table parameters of <i>H. armigera</i> were significantly reduced when treated with OA-09 at higher doses. The population treated with 450 μM of OA-09 had the least net reproductive rates (Ro) and gross reproductive rate (GRR) compared to the control population. The same compound resulted in a declining survival during the early stages of development coupled with reduced larval and pupal durations, and fertility. These results have a significant implication for developing an effective and sustainable chemical treatment against <i>H. armigera</i> infestation. |
| first_indexed | 2024-03-09T16:18:20Z |
| format | Article |
| id | doaj.art-fdc1c0e05a2d44f4b045a5962c9d25ce |
| institution | Directory Open Access Journal |
| issn | 2075-4450 |
| language | English |
| last_indexed | 2024-03-09T16:18:20Z |
| publishDate | 2022-12-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Insects |
| spelling | doaj.art-fdc1c0e05a2d44f4b045a5962c9d25ce2023-11-24T15:40:20ZengMDPI AGInsects2075-44502022-12-011312116910.3390/insects13121169In Silico and In Vivo Evaluation of Synthesized SCP-2 Inhibiting Compounds on Life Table Parameters of <i>Helicoverpa armigera</i> (Hübner)Qamar Saeed0Faheem Ahmad1Numan Yousaf2Haider Ali3Syed Azhar Ali Shah Tirmazi4Abdulrahman Alshammari5Naeema Kausar6Mahmood Ahmed7Muhammad Imran8Muhammad Jamshed9Metab Alharbi10Muhammad Muddassar11Department of Entomology, Faculty of Agricultural Sciences and Technology, Bahauddin Zakariya University, Multan 60800, PakistanDepartment of Biosciences, COMSATS University Islamabad, Park Road, Islamabad 45550, PakistanDepartment of Biosciences, COMSATS University Islamabad, Park Road, Islamabad 45550, PakistanDepartment of Entomology, Faculty of Agricultural Sciences and Technology, Bahauddin Zakariya University, Multan 60800, PakistanSchool of Chemistry, University of the Punjab, Lahore 54590, PakistanDepartment of Pharmacology and Toxicology, College of Pharmacy, King Saud University, P.O. Box 2455, Ryadh 11451, Saudi ArabiaDepartment of Biosciences, COMSATS University Islamabad, Park Road, Islamabad 45550, PakistanDepartment of Chemistry, Division of Science and Technology, University of Education, College Road, Lahore 54000, PakistanKAM-School of Life Sciences, FC College (A Chartered University), Lahore 54000, PakistanDepartment of Biological Sciences, University of Calgary, 2500 University Dr. NW, Calgary, AB T2N 1N4, CanadaDepartment of Pharmacology and Toxicology, College of Pharmacy, King Saud University, P.O. Box 2455, Ryadh 11451, Saudi ArabiaDepartment of Biosciences, COMSATS University Islamabad, Park Road, Islamabad 45550, PakistanFor environment-friendly, safe and nonpersistent chemical control of a significant polyphagous insect pest, <i>Helicoverpa armigera</i>, discovery of growth-regulating xenobiotics can offer a sustainable alternative to conventional insecticides. For this purpose, chemically synthesized compounds to inhibit sterol carrier protein (SCP-2) function using in silico and in vivo assays were evaluated to estimate their impact on the survivals and lifetable indices of <i>H. armigera</i>. From nine chemically synthesized compounds, OA-02, OA-06 and OA-09 were selected for this study based on binding poses mimicking cholesterol, a natural substrate of sterol carrier protein and molecular dynamics simulations. In vivo bioassays revealed that all compounds significantly reduced the larval and pupal weight accumulations and stadia lengths. Subsequently, the pupal periods were prolonged upon treatment with higher doses of the selected compounds. Moreover, OA-09 significantly reduced pupation and adult emergence rates as well as the fertility of female moths; however, fecundity remained unaffected, in general. The life table parameters of <i>H. armigera</i> were significantly reduced when treated with OA-09 at higher doses. The population treated with 450 μM of OA-09 had the least net reproductive rates (Ro) and gross reproductive rate (GRR) compared to the control population. The same compound resulted in a declining survival during the early stages of development coupled with reduced larval and pupal durations, and fertility. These results have a significant implication for developing an effective and sustainable chemical treatment against <i>H. armigera</i> infestation.https://www.mdpi.com/2075-4450/13/12/1169synthetic compoundsmolecular dockingMD simulationslife tableSCP-2 inhibitor |
| spellingShingle | Qamar Saeed Faheem Ahmad Numan Yousaf Haider Ali Syed Azhar Ali Shah Tirmazi Abdulrahman Alshammari Naeema Kausar Mahmood Ahmed Muhammad Imran Muhammad Jamshed Metab Alharbi Muhammad Muddassar In Silico and In Vivo Evaluation of Synthesized SCP-2 Inhibiting Compounds on Life Table Parameters of <i>Helicoverpa armigera</i> (Hübner) Insects synthetic compounds molecular docking MD simulations life table SCP-2 inhibitor |
| title | In Silico and In Vivo Evaluation of Synthesized SCP-2 Inhibiting Compounds on Life Table Parameters of <i>Helicoverpa armigera</i> (Hübner) |
| title_full | In Silico and In Vivo Evaluation of Synthesized SCP-2 Inhibiting Compounds on Life Table Parameters of <i>Helicoverpa armigera</i> (Hübner) |
| title_fullStr | In Silico and In Vivo Evaluation of Synthesized SCP-2 Inhibiting Compounds on Life Table Parameters of <i>Helicoverpa armigera</i> (Hübner) |
| title_full_unstemmed | In Silico and In Vivo Evaluation of Synthesized SCP-2 Inhibiting Compounds on Life Table Parameters of <i>Helicoverpa armigera</i> (Hübner) |
| title_short | In Silico and In Vivo Evaluation of Synthesized SCP-2 Inhibiting Compounds on Life Table Parameters of <i>Helicoverpa armigera</i> (Hübner) |
| title_sort | in silico and in vivo evaluation of synthesized scp 2 inhibiting compounds on life table parameters of i helicoverpa armigera i hubner |
| topic | synthetic compounds molecular docking MD simulations life table SCP-2 inhibitor |
| url | https://www.mdpi.com/2075-4450/13/12/1169 |
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