Chemo-profiling of methanolic and ether oleoresins of Salvia coccinea and      in vitro pesticidal evaluation with in silico molecular docking and ADME/Tox studies

Kirti Nagarkoti; Om Prakash; Avneesh Rawat; Tanuja Kabdal; Ravendra Kumar; Ravi Mohan Srivastava; Satya Kumar; Dharmendra Singh Rawat

doi:10.5155/eurjchem.14.2.211-222.2416

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Published: Jun 30, 2023

DOI: https://doi.org/10.5155/eurjchem.14.2.211-222.2416

Keywords:

Salvia coccinea, Molecular docking, Antifungal activity, Insecticidal activity, Nematicidal activity, Antibacterial activity

Section

Research Article

Issue

Vol. 14 No. 2 (2023): June 2023

Dates

Received 2022-12-28
Accepted 2023-01-13
Published 2023-06-30

Kirti Nagarkoti

Department of Chemistry, Faculty of Science, College of Basic Sciences and Humanities, Govind Ballabh Pant University of Agriculture and Technology, Pantnagar, 263145, Udham Singh Nagar, Uttarakhand, India

https://orcid.org/0000-0002-7332-1265

Om Prakash

https://orcid.org/0000-0002-2767-6997

Avneesh Rawat

https://orcid.org/0000-0003-0258-0590

Tanuja Kabdal

https://orcid.org/0000-0002-5396-0174

Ravendra Kumar

https://orcid.org/0000-0001-7299-1761

Ravi Mohan Srivastava

Department of Entomology, Faculty of Science, College of Agriculture, Govind Ballabh Pant University of Agriculture and Technology, Pantnagar, 263145, Udham Singh Nagar, Uttarakhand, India

https://orcid.org/0000-0002-0216-117X

Satya Kumar

Department of Plant Pathology, Faculty of Science, College of Agriculture, Govind Ballabh Pant University of Agriculture and Technology, Pantnagar, 263145, Udham Singh Nagar, Uttarakhand, India

https://orcid.org/0000-0002-2555-4769

Dharmendra Singh Rawat

Department of Biological Sciences, Faculty of Science, College of Basic Sciences and Humanities, Govind Ballabh Pant University of Agriculture and Technology, Pantnagar, 263145, Udham Singh Nagar, Uttarakhand, India.

https://orcid.org/0000-0003-2613-2709

Abstract

The objective of the present study was to examine the chemical compositions of Salvia coccinea oleoresins prepared in methanol and petroleum ether. GC-MS analysis of Salvia coccinea methanolic oleoresin (SCMO) and Salvia coccinea ether oleoresin (SCEO) resulted in the identification of 15 and 12 constituents, comprising 84.7 and 81.2% of the total composition, respectively. Both SCMO and SCEO varied in their chemical composition in terms of quantity, namely, oleic acid (22.3-25.9%), palmitic acid (8.9-8.4%), stigmasta-3,5-dien-7-one (3.4-11.8%), stigmasterol acetate (3.5-5.3%), neophytadiene (4.8-1.7%), phytol (1.6-7.8%) and phthalic acid (2.1-3.1%). In addition to the qualitative differences between SCMO and SCEO concomitantly, both oleoresins were examined for their pesticidal activities. Oleoresins demonstrated significant nematicidal activity against Meloidogyne incognita, insecticidal activity against Lipaphis erysimi, antifungal activity against Curvularia lunata, and antibacterial activity against Staphylococcus aureus. For nematicidal activity, SCMO and SCEO exhibited a high mortality of 65.66±1.69 and 54.33±1.24 and egg hatching inhibition of 26.33±1.20and 33.33±1.24 at 200 μg/mL. Similarly, SCMO and SCEO exhibited excellent insecticidal activity with 94.87±1.44 % and 86.75±1.85 % mortality at 1000 μg/mL. However, both oleoresins exhibited moderate antifungal and antibacterial activities compared to standards. Due to the quantitative difference in chemical composition and the presence of several phytoconstituents that were absent in SCEO, SCMO displayed stronger pesticidal effects than SCEO. To estimate the binding energy and structure-activity relationships between chemical constituents and pesticidal activities, in silico molecular docking and ADME/Tox studies have also been performed using a web-based online tool. On the basis of the present study, it is inferred that the herb Salvia coccinea might be a good source of phytochemicals and can be used for the development of herbal-based pesticides/formulations after proper clinical trials.

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Nagarkoti, K.; Prakash, O.; Rawat, A.; Kabdal, T.; Kumar, R.; Srivastava, R. M.; Kumar, S.; Rawat, D. S. Chemo-Profiling of Methanolic and Ether Oleoresins of Salvia Coccinea and in Vitro Pesticidal Evaluation With in Silico Molecular Docking and ADME Tox Studies. Eur. J. Chem. 2023, 14, 211-222.

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