Author(s):
A. Muthukumar, Amreen Firdose, Swati Mittal, Deepa R, Nikitha Varsha. B, Tsering Choezom, Niranjana. B, Tenzin Passang
Email(s):
drmkresearch14@gmail.com , amreen98@gmail.com , swatiani14@gmail.com , deepakavana1992@gmail.com , nikithavarsha543210@gmail.com , tsering.choezom01@gmail.com , niranjan.ninni12@gmail.com , tenzinpassang59@gmail.com
DOI:
10.52711/0974-360X.2023.00540
Address:
A. Muthukumar*, Amreen Firdose, Swati Mittal, Deepa R, Nikitha Varsha. B, Tsering Choezom, Niranjana. B, Tenzin Passang
Department of Pharmacology, Al-Ameen College of Pharmacy, Bangalore.
*Corresponding Author
Published In:
Volume - 16,
Issue - 7,
Year - 2023
ABSTRACT:
In drug discovery and development, computational and experimental methods complement each other. Molecular docking is one such method of the computational method. Various phytonutrients which act as ligands can be used to dock against the specific targets.Polycystic ovarian syndrome (PCOS) is a hormonal, metabolic, and reproductive disorder seen most often in women of reproductive age, whose exact etiology is unknown.Multiple hormonal disturbances, including insulin resistance (IR), hyperinsulinemia, and hyperandrogenism.Many biomolecules play an essential role during PCOS, such as CYP19, CYP17-a, leptin receptors, insulin receptor substrates 1 and 2, etc. Satureja hortensis L. (Summer Savory) is a rich source of vitamins, essential minerals, and phenolic compounds. The major phytonutrients of summer savory were allowed to dock against the various PCOS targets. The study is primarily focused on targeting all the mediators and comparing the binding affinity of the phytochemicals. Herbal constituents are also subjected to pharmacokinetic studies to analyze their therapeutic efficacy.
Cite this article:
A. Muthukumar, Amreen Firdose, Swati Mittal, Deepa R, Nikitha Varsha. B, Tsering Choezom, Niranjana. B, Tenzin Passang. Structure-based Virtual Screening and Pharmacokinetic Studies of Satureja hortensis L. Phytonutrientson various PCOS Targets. Research Journal of Pharmacy and Technology 2023; 16(7):3280-4. doi: 10.52711/0974-360X.2023.00540
Cite(Electronic):
A. Muthukumar, Amreen Firdose, Swati Mittal, Deepa R, Nikitha Varsha. B, Tsering Choezom, Niranjana. B, Tenzin Passang. Structure-based Virtual Screening and Pharmacokinetic Studies of Satureja hortensis L. Phytonutrientson various PCOS Targets. Research Journal of Pharmacy and Technology 2023; 16(7):3280-4. doi: 10.52711/0974-360X.2023.00540 Available on: https://rjptonline.org/AbstractView.aspx?PID=2023-16-7-37
REFERENCES:
1. Pokale SB. Jadhav G. Piper longum (Linn.) restores ovarian function in Letrozole induced PCOS in Rats: Comparison with Metformin and Clomiphene citrate. Research Journal of Pharmacy and Technology. 2021;14(10):5190-6. https://doi.org/10.52711/10.52711/0974-360x.2021.00903
2. Kafali H. Iriadam M. Ozardalı I. Demir N. Letrozole-induced polycystic ovaries in the rat: a new model for the cystic ovarian disease. Archives of Medical Research. 2004;35(2):103-8. https://doi.org/10.1016/j.arcmed.2003.10.005
3. Khaled N. El-Bahy AA. Radwan R. Handoussa H. AbdelMaksoud S. Ocimum kilimandscharicum L. restores ovarian functions in letrozole-induced Polycystic Ovary Syndrome (PCOS) in rats: Comparison with metformin. Life Sciences. 2019;232:116640. https://doi.org/10.1016/j.lfs.2019.116640
4. Marshall JC. Dunaif A. Аll women with PCOS should be treated for insulin resistance. Fertil Steril. 2012;97(1):18-22. https://doi.org/10.1016/j.fertnstert.2011.11.036
5. Kirthika SV. Daggumati H. Padmanabhan K. Paul J. Sudhakar S. Selvam PS. Effect of structured awareness programme on polycystic ovarian syndrome (PCOS) among adolescent girls. Research Journal of Pharmacy and Technology. 2019; 12(12): 6097-100. https://doi.org/10.5958/0974-360x.2019.01059.x
6. Pundir C. Deswal R. Narwal V. Dang A. The Prevalence of Polycystic Ovary Syndrome: A Brief Systematic Review. Journal of Human Reproductive Sciences. 2020;13(4):261. http://dx.doi.org/10.4103/jhrs.jhrs_95_18
7. Abasian Z. Rostamzadeh A. Mohammadi M. Hosseini M. Rafieian-Kopaei M. A review on therole of medicinal plants in polycystic ovarian syndrome: pathophysiology, neuroendocrine signaling, therapeutic status and future prospects. Middle East Fertility Society Journal. 2018;23(4):255-62. https://doi.org/10.1016/j.mefs.2018.04.005
8. Revathi R. Julius A. Effect of insulin resistance in obese polycystic ovarian disease. Research Journal of Pharmacy and Technology. 2017;10(7):2160-2. https://doi.org/10.5958/0974-360x.2017.00381.x
9. Bader SA. Althanoon ZA. Raoof HS. The Metabolic effects of coenzyme Q10 in patients with Polycystic Ovary Syndrome. Research Journal of Pharmacy and Technology. 2022;15(3):1157-61. https://doi.org/10.52711/0974-360x.2022.00194
10. Deepthi G. Sankarakumaran P. Jerome A. Kalirathinam D. Raj NB. US MR. Effect of aerobic exercise in improving the quality of life in polycystic ovarian disease. Research Journal of Pharmacy and Technology. 2017;10(6):1788-90. https://doi.org/10.5958/0974-360x.2017.00315.8
11. Panda PK. Rane R. Ravichandran R. Singh S. Panchal H. Genetics of PCOS: A systematic bioinformatics approach to unveil the proteins responsible for PCOS. Genomics data. 2016;8:52-60. https://doi.org/10.1016/j.gdata.2016.03.008
12. Kamboj A. Verma D. Sharma D. Pant K. Pant B. Kumar V. A Molecular Docking Study towards Finding Herbal Treatment against Polycystic Ovary Syndrome (PCOS). Special Issue [Internet]. 2020;1;8(2S12):38–41. https://doi.org/10.35940/ijrte.b1006.0982s1219
13. Naessen T. Kushnir MM. Chaika A. Nosenko J. Mogilevkina I. Rockwood AL. Carlstrom K. Bergquist J. Kirilovas D. Steroid profiles in ovarian follicular fluid in women with and without polycystic ovary syndrome, analyzed by liquid chromatography-tandem mass spectrometry. Fertility and Sterility. 2010;94(6):2228-33.https://doi.org/10.1016/j.fertnstert.2009.12.081
14. Wickenheisser JK. Quinn PG. Nelson VL. Legro RS. Strauss III JF. McAllister JM. Differential activity of the cytochrome P450 17α-hydroxylase and steroidogenic acute regulatory protein gene promoters in normal and polycystic ovary syndrome theca cells. The Journal of Clinical Endocrinology & Metabolism. 2000; 85(6): 2304-11. https://doi.org/10.1210/jcem.85.6.6631
15. Devi MS. Muralidharan P. Hari R. Lavanya M. Abiraamavalli T. PCOS Modulatory Activity of Tinospora Cordifolia leaves–An Insilico Approach. Biomedical and Pharmacology Journal. 2021; 30; 14(3):1125-31. https://doi.org/10.13005/bpj/2215
16. Monalisa R. Role of leptin in obesity. Research Journal of Pharmacy and Technology. 2015;8(8):1073-6. https://doi.org/10.5958/0974-360x.2015.00185.7
17. Babu A. Veerasamy R. Sivadasan S. Metformin-A drug of plant origin. Research Journal of Pharmacy and Technology. 2018 Jun 30;11(6):2701-8. https://doi.org/10.5958/0974-360x.2018.00499.7
18. Ahamed S. Sumitra M. Chitra V. Prevalance and role of Melatonin on PCOS in its treatment using Herbal Drugs. Research Journal of Pharmacy and Technology. 2021;14(9):5029-33. https://doi.org/10.52711/0974-360x.2021.00877
19. Viollet B. Guigas B. Garcia NS. Leclerc J. Foretz M. Andreelli F. Cellular and molecular mechanisms of metformin: an overview. Clinical Science. 2012;122(6):253-70. https://doi.org/10.1042/cs20110386
20. Dhanalakshmi S. Dhivya C. A Perspective Studies on Herbalism for the Preventive of PCOS. Research Journal of Pharmacy and Technology. 2018;11(12):5417-24. https://doi.org/10.5958/0974-360x.2018.00989.7
21. Shanaida M. Pryshlyak A. Golembiovska O. Determination of triterpenoids in some Lamiaceae species. Research Journal of Pharmacy and Technology. 2018;11(7):3113-8. https://doi.org/10.5958/0974-360x.2018.00571.1
22. Das DR. Kumar D. Kumar P. Dash BP. Molecular docking and its application in search of antisickling agent from Carica papaya. Journal of Applied Biology and Biotechnology. 2020;8(1):1-. http://dx.doi.org/10.7324/JABB.2020.80117
23. Milne GWA. Software Review of ChemBioDraw 12.0. Journal of Chemical Information and Modeling. 2010;50(11):2053–2053. http://dx.doi.org/10.1021/ci100385n
24. Padmini R. Sitrarasi R. Razia M. Molecular Docking Studies of Bioactive Compounds from Allium sativum Against EML4-ALK Receptor. Research J. Pharm. and Tech. 2017; 10(11): 3741-3747. https://doi.org/10.5958/0974-360x.2017.00679.5
25. Butina D. Segall MD. Frankcombe K. Predicting ADME properties in silico: methods and models. Drug Discovery Today. 2002;7(11):S83–8. http://dx.doi.org/10.1016/s1359-6446(02)02288-2
26. Daina A. Michielin O. Zoete V. SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Scientific Reports. 2017;7(1). http://dx.doi.org/10.1038/srep42717
27. Merlin NJ. Dharan SS. Hinguvachadi choornam, an Insilico approach to confirm the therapeutic efficacy towards PCOS. Research Journal of Pharmacy and Technology. 2021;14(1):231-4. https://doi.org/10.5958/0974-360x.2021.00040.8
28. Fierascu I. Dinu-Pirvu CE. Fierascu RC. Velescu BS. Anuta V. Ortan A. Jinga V. Phytochemical profile and biological activities of Satureja hortensis L.: A review of the last decade. Molecules. 2018;23(10):2458. https://doi.org/10.3390/molecules23102458
29. Jahan S. Munir F. Razak S. Mehboob A. Ain QU. Ullah H. Afsar T. Shaheen G. Almajwal A. Ameliorative effects of rutin against metabolic, biochemical and hormonal disturbances in polycystic ovary syndrome in rats. Journal of Ovarian Research. 2016; 9(1): 1-9. https://doi.org/10.1186/s13048-016-0295-y