Author(s): Ravindra Gaikwad, Sanket Rathod, Anilkumar Shinde

Email(s): rvgaikwad92@gmail.com

DOI: 10.52711/2231-5691.2022.00043   

Address: Ravindra Gaikwad1*, Sanket Rathod2, Anilkumar Shinde1
1Department of Pharmaceutics, Bharati Vidyapeeth College of Pharmacy, Kolhapur 416013, Maharashtra, India.
2Department of Pharmaceutical Chemistry, Bharati Vidyapeeth College of Pharmacy, Kolhapur 416013, Maharashtra, India.
*Corresponding Author

Published In:   Volume - 12,      Issue - 4,     Year - 2022


ABSTRACT:
Introduction: Psoriasis (Ps) is a well-known chronic non-infectious, inflammatory skin disease affecting about 2–3% of the worldwide Population. Pathogenesis includes the environmental trigger factors with other factors like genetic factors, trauma, chemicals, bacterial infection etc. Currently there is no drug which can permanently cure the skin lesions as well as completely eradicate this dermatosis. The purpose of this research is to investigate the anti-psoriatic activity of phytoconstituents of Tribulus terrestris by predicting the ligand-receptor binding and by predicting the ADMET parameters using Lipinski's rule. Methodology: The process of research work starts with protein and ligand structure preparation. Further docking was done using PyRxAutodock Vina. Afterward, analysis and visualisation of the interaction between protein-ligands was done, and ADMET profiling was carried out according to lipinski's rules using Swiss ADME. Result: we selected four phytoconstituents of Tribulus terrestris. Molecular docking simulation showed all four compounds had better binding affinities. Based on the results of prediction of ADMET values using the Lipinski rule, compound that are thought to have good activity. Conclusion: Based on results these molecules have discovered that they may be able to produce anti-psoriatic activity and found that they have a lower toxicity, and ADME analysis determined the easily absorbability to the tissue site. Hence, these compounds can be analysed by further in vitro studies and can be a leader in the designing of the potential drug for the psoriasis management.


Cite this article:
Ravindra Gaikwad, Sanket Rathod, Anilkumar Shinde. In-silico Study of Phytoconstituents from Tribulus terrestris as potential Anti-psoriatic agent. Asian Journal of Pharmaceutical Research 2022; 12(4):267-4. doi: 10.52711/2231-5691.2022.00043

Cite(Electronic):
Ravindra Gaikwad, Sanket Rathod, Anilkumar Shinde. In-silico Study of Phytoconstituents from Tribulus terrestris as potential Anti-psoriatic agent. Asian Journal of Pharmaceutical Research 2022; 12(4):267-4. doi: 10.52711/2231-5691.2022.00043   Available on: https://www.asianjpr.com/AbstractView.aspx?PID=2022-12-4-2


REFERENCES:
1.    Chhatre S, Nesari T, Somani G, Kanchan D, Sathaye S. Phytopharmacological overview of Tribulus terrestris. Pharmacognosy reviews. 2014 Jan; 8(15):45.
2.    Patel A, Soni A, Siddiqi NJ, Sharma P. An insight into the anticancer mechanism of Tribulus terrestris extracts on human breast cancer cells. 3 Biotech. 2019 Feb; 9(2):1-0.
3.    Hussein G, Miyashiro H, Nakamura N, Hattori M, Kawahata T, Otake T, Kakiuchi N, Shimotohno K. Inhibitory effects of Sudanese plant extracts on HIV‐1 replication and HIV‐1 protease. Phytotherapy Research: An International Journal Devoted to Pharmacological and Toxicological Evaluation of Natural Product Derivatives. 1999 Feb;13(1): 31-6.
4.    Zhang JD, Xu Z, Cao YB, Chen HS, Yan L, An MM, Gao PH, Wang Y, Jia XM, Jiang YY. Antifungal activities and action mechanisms of compounds from Tribulus terrestris L. Journal of ethnopharmacology. 2006 Jan 3; 103(1): 76-84.
5.    Al-Bayati FA, Al-Mola HF. Antibacterial and antifungal activities of different parts of Tribulus terrestris L. growing in Iraq. Journal of Zhejiang University Science B. 2008 Feb; 9(2): 154-9.
6.    Cai L, Wu Y, Zhang J, Pei F, Xu Y, Xie S, Xu D. Steroidal saponins from Tribulus terrestris. Planta medica. 2001; 67(02):196-8.
7.    Ștefănescu R, Tero-Vescan A, Negroiu A, Aurică E, Vari CE. A Comprehensive Review of the Phytochemical, Pharmacological, and Toxicological Properties of Tribulus terrestris L. Biomolecules. 2020 May 12; 10(5): 752.
8.    Sharma RK, Sharma MR, Mahendra A, Kumar S. Role of Inflammatory Cytokines in Pathophysiology of Psoriasis. Current Pharmacology Reports. 2022 Jan 3:1-7.
9.    Christopher E M Griffiths, April W Armstrong, Johann E Gudjonsson, Jonathan N W N Barker; Psoriasis.The Lancet. 2021; 397 (10281), 1301-1315.
10.    Bocheńska K, Smolińska E, Moskot M, Jakóbkiewicz-Banecka J, Gabig-Cimińska M. Models in the research process of psoriasis. International journal of molecular sciences. 2017 Dec;18(12):2514.
11.    GaikwadR G, ShindeA J, HajareA A. Herbal Treatment for Management of Psoriasis: An Overview. Research Journal of Pharmacy and Technology. 2022; 15(3):1385-2.
12.    Wang Q, Li XL, Guo LH, Shi H, Chen HY. Non-tumorous Skin Lesions. InDiagnostic Ultrasound in Dermatology 2022 (pp. 177-213). Springer, Singapore.
13.    Griffiths CE, Barker JN. Pathogenesis and clinical features of psoriasis. The Lancet. 2007 Jul 21;370(9583):263-71.
14.    Boca AN, Tataru A, Buzoianu AD, Pincelli C, Socaciu C. Pharmacological benefits of herbal formulations in the management of psoriasis vulgaris. Notulae Botanicae Horti Agrobotanici Cluj-Napoca. 2014 Jun 3;42(1):1-8.
15.    Rao VS, Srinivas K. Modern drug discovery process: An in silico approach. Journal of bioinformatics and sequence analysis. 2011 Jun 30;3(5):89-94.
16.    Ou-Yang SS, Lu JY, Kong XQ, Liang ZJ, Luo C, Jiang H. Computational drug discovery. Acta Pharmacologica Sinica. 2012 Sep;33(9):1131-40.
17.    Om Silakari, Pankaj Kumar Singh, Chapter 6 - Molecular docking analysis: Basic technique to predict drug-receptor interactions, Editor(s): Om Silakari, Pankaj Kumar Singh, Concepts and Experimental Protocols of Modelling and Informatics in Drug Design, Academic Press, 2021, Pg. 131-155.
18.    Pintilie L, Stefaniu A. In Silico Drug Design and Molecular Docking Studies of Some Quinolone Compound. InMolecular Docking and Molecular Dynamics 2019 May 22. IntechOpen.
19.    Kar S, Leszczynski J. Open access in silico tools to predict the ADMET profiling of drug candidates. Expert Opinion on Drug Discovery. 2020 Dec 1;15(12):1473-87.
20.    Dallakyan S, Olson AJ. Small-molecule library screening by docking with PyRx. InChemical biology 2015 (pp. 243-250). Humana Press, New York, NY.
21.    Pawar SS, Rohane SH. Review on discovery studio: an important tool for molecular docking. Asian J. Res. Chem. 2021 Feb 12;14:86-8.
22.    Akachukwu I, Amara EE. In-silico study of flavonoids from Cassia tora as potential anti-psoriatic agent. Journal of Applied Pharmaceutical Science. 2019 Apr;9(04):082-7.
23.    Opo FA, Rahman MM, Ahammad F, Ahmed I, Bhuiyan MA, Asiri AM. Structure based pharmacophore modeling, virtual screening, molecular docking and ADMET approaches for identification of natural anti-cancer agents targeting XIAP protein. Scientific reports. 2021 Feb 18;11(1):1-7.
24.    MMadhavi Sastry G, Adzhigirey M, Day T, Annabhimoju R, Sherman W. Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments. Journal of computer-aided molecular design. 2013 Mar;27(3):221-34.
25.    Beg M, Athar F. Pharmacokinetic and molecular docking studies of Achyranthes aspera phytocompounds to exploring potential anti-tuberculosis activity. J Bacteriol Mycol Open Access. 2020;8(1):18-27.
26.    Patel A, Bhatt M, Soni A, Sharma P. Identification of steroidal saponins from Tribulus terrestris and their in silico docking studies. Journal of Cellular Biochemistry. 2021 Nov;122(11):1665-85.
27.    Silviana Hasanuddin, Dolih Gozali, Muhammad Arba, Dwi Syah Fitra Ramadhan, Resmi Mustarichie. In Silico Prediction of Metabolite in Petroselinum Crispum in Inhibiting Androgen Receptor as Treatment for Alopecia. Research Journal of Pharmacy and Technology. 2022; 15(3):1211-8.
28.    Abdulfatai U, Uzairu A, Uba S. Molecular docking and quantitative structure-activity relationship study of anticonvulsant activity of aminobenzothiazole derivatives. Beni-Suef University Journal of Basic and Applied Sciences. 2018 Jun 1;7(2):204-14.
29.    Isyaku Y, Uzairu A, Uba S. Computational studies of a series of 2-substituted phenyl-2-oxo-, 2-hydroxyl-and 2-acylloxyethylsulfonamides as potent anti-fungal agents. Heliyon. 2020 Apr 1;6(4):e03724.
30.    Alam MS, Ahmed JU, Lee DU. Biological features, drug-likeness, pharmacokinetic properties, and docking of 2-arylidenehydrazinyl-4-arylthiazole analogues. Applied Biological Chemistry. 2016 Apr;59(2):181-92.
31.    Karthik Dhananjayan, Arunachalam Sumathy, Sivanandy Palanisamy. Molecular Docking Studies and in-vitro Acetylcholinesterase Inhibition by Terpenoids and Flavonoids. Asian J. Research Chem. 6(11): November 2013; Page 1011-1017.
32.    Sanket Rathod, Ketaki Shinde, Namdeo Shinde, Nagesh Aloorkar. Cosmeceuticals and Nanotechnology in Beauty Care Products. Research Journal of Topical and Cosmetic Sciences. 2021; 12(2):93-1.
33.    N V L Suvarchala Reddy V, Sneha J Anarthe, Ganga Raju M, Akhila M, Pooja Raj G.B.. Molecular docking studies of isolated compounds from Cassia fistula on HMG-COA reductase. Asian J. Research Chem. 2019; 12(2): 89-93.
34.    Uday M. Satpute, Sachin H. Rohane. Efficiency of AUTODOCK: Insilico study of Pharmaceutical Drug Molecules. Asian J. Research Chem. 2021; 14(1):92-96.
35.    Avanti K. Galande, Sachin H. Rohane. Insilico Molecular docking analysis in Maestro Software. Asian J. Research Chem. 2021; 14(1):97-100.
36.    Neha Subhash Patil, Sachin H. Rohane. Organization of Swiss Dock: In study of Computational and Molecular Docking Study. Asian J. Research Chem. 2021; 14(2):145-148.
37.    Rutuja P. Pawar, Sachin H. Rohane. Role of Autodock vina in PyRx Molecular Docking. Asian J. Research Chem. 2021; 14(2):132-134.
38.    Bhagyashree L. Jejurikar, Sachin H. Rohane. Drug Designing in Discovery Studio. Asian J. Research Chem. 2021; 14(2):135-138.
39.    Anagha Bagal, Tai Borkar, Trupti Ghige, Anushka Kulkarni, Aakanksha Kumbhar, Ganesh Devane, Sachin Rohane. Molecular Docking – Useful Tool in Drug Discovery. Asian Journal of Research in Chemistry. 2022; 15(2):129-2.


Recomonded Articles:

Author(s): Mohite M S, Shelar P A, Raje V N., Babar S. J., Sapkal R. K.

DOI:         Access: Open Access Read More

Author(s): Vidya Raju, Jasmine Joy Bell, Merlin. N. J, Shaiju S. Dharan

DOI: 10.5958/2231-5691.2017.00033.8         Access: Open Access Read More

Author(s): Elumalai A., Prakash Yoganandam G.

DOI:         Access: Open Access Read More

Author(s): Dinesh D. Rishipathak, Trupti A. Jadhav, Sonal P. Tathe, Pavan B. Udavant

DOI: 10.5958/2231-5691.2019.00023.6         Access: Open Access Read More

Author(s): Shivi Sondhi, Navdeep Singh, Shammy Jindal

DOI: 10.5958/2231-5691.2021.00009.5         Access: Open Access Read More

Author(s): Ravindra Gaikwad, Sanket Rathod, Anilkumar Shinde

DOI: 10.52711/2231-5691.2022.00043         Access: Closed Access Read More

Author(s): Nalla Priyanka, M. Srikanth, G. Raveendra Babu, M. Sowjanya, V. Ramya Sri, M. Vasanthi, K. Sri Lakshmi Bhargavi, Y. Tirupathaiah, K. Mohana Sri Vasavi, N. Raviteja

DOI: 10.52711/2231-5691.2022.00044         Access: Closed Access Read More

Asian Journal of Pharmaceutical Research (AJPRes.) is an international, peer-reviewed journal, devoted to pharmaceutical sciences. AJPRes. publishes Original Research Articles, Short Communications..... Read more >>>

RNI: Not Available                     
DOI: 10.5958/2231–5691 


Recent Articles




Tags