Author(s): Anjali P, Vimalavathini R

Email(s): ,

DOI: 10.52711/0974-360X.2021.00892   

Address: Anjali P, Vimalavathini R*
Department of Pharmacology, College of Pharmacy, Mother Theresa Post Graduate and Research Institute of Health Sciences, Puducherry - 605006, India.
*Corresponding Author

Published In:   Volume - 14,      Issue - 10,     Year - 2021

Rheumatoid arthritis (RA) is a chronic inflammatory autoimmune disease which mainly targets synovial membrane during its disease pathogenesis. Available therapeutic drugs for the treatment of RA provide only symptomatic relief and are associated with severe side effects. Herbal plants comprise many active biological compounds that cure the disease with minimal adverse effects. Pyrenacantha volubilis is a climber and member of Icacinaceae family. Gas chromatography- mass spectrometry (GC-MS) analysis of ethanolic extracts of leaves of Pyrenacantha volubilis (EEPV) reveals the presence of 2-isopropyl-5-methylcyclohexyl 3-(1-(4- chlorophenyl)-3-oxobutyl)-coumarin-4-yl carbonate and 1-naphthalenepropanol, alpha-ethyldecahydro-5- (hydroxymethyl)-alpha,5,8A-trimethyl-2-methyl phytoconstitutents. Hence these compounds were docked with various pathological mediators of RA using Autodock 4.2. The docking results unveils that these compounds had better binding energy against inflammatory, oxidative stress and receptor for advanced glycation end products (RAGE) mediators that plays a pivotal role in the progression of RA. However, this study warrants further in- vitro and in-vivo studies to be carried out to establish the anti-inflammatory and anti-arthritic activity of selected phytoconstitutents.

Cite this article:
Anjali P, Vimalavathini R. In-silico Molecular Docking of Coumarin and Naphthalene Derivatives from Pyrenacantha volubilis with the Pathological Mediators of Rheumatoid Arthritis. Research Journal of Pharmacy and Technology. 2021; 14(10):5121-5. doi: 10.52711/0974-360X.2021.00892

Anjali P, Vimalavathini R. In-silico Molecular Docking of Coumarin and Naphthalene Derivatives from Pyrenacantha volubilis with the Pathological Mediators of Rheumatoid Arthritis. Research Journal of Pharmacy and Technology. 2021; 14(10):5121-5. doi: 10.52711/0974-360X.2021.00892   Available on:

1.    Neha R, Vijendar S, Mohd A. Formulation and Characterization of Ginger     oil     loaded     Polyherbal     Emulgels     having     extracts of Nardostachys jatamansi, Andrographis paniculata and Celaestrus paniculatus. Research J. Pharm. and Tech 2020; 13(9): 4077-83.
2.    Bullock J, Rizvi SAA, Saleh AM, Ahmed SS, Do DP, Ansari RA et al. Rheumatoid Arthritis: A Brief Overview of the Treatment. Med Princ Pract 2018; 27: 501–7.
3.    Mohd AH, Saleem MD, Srinivasa AR, Vinay Umesh R. Surface Response Methodology for Development and Optimization of Aceclofenac Pulsatile Release Drug Delivery System. Asian J. Pharm. Tech. 2014; 4(2): 74-82.
4.    Tanya D and Elena M. Rheumatoid Arthritis: An overview of new and emerging therapies. J Clin Pharmacol 2005; 45: 751-62.
5.    Radha M, Suganya J, Astral F, Sharanya M. Insights into the Identification of p38-alpha Mitogen activated Protein Kinase against Pyridazinopyridinone Derivatives in the Treatment of Rheumatoid Arthritis. Research J. Pharm. and Tech. 2017; 10(9): 2875-9.
6.    Kilimozhi D, Parthasarathy V and Manavalan R. A Review on Arthritis. Research J. Pharm. and Tech. 2011; 4 (1): 29-36.
7.    Chaitanya A, Ashok Kumar M, Gokul Krishna A, Shanmugasundaram
P. A Study on Efficacy and Safety of Etanercept in Patients with Rheumatoid Arthritis. Research J. Pharm. and Tech 2016; 9(11): 1933- 6.
8.    Tanaji DN, Priyajit SH, Anuja KK. Clinical Features and Treatment of Rheumatoid Arthritis: A Review. Research J. Pharm. and Tech 2018; 11(12): 5701-6.
9.    Udhaya Lavinya, Sangeetha N, Manisha P, Ramkumar K, Kavitha M, Sabina EP.Virtual Screening of Peptidyl Arginine Deiminase Type 4 Inhibiting Potential of Chosen Flavonoids. Research J. Pharm. and Tech 2018; 11(11): 5212-8.
10.    Spandana K, Varun TC, Shivani M. Rheumatoid arthritis. Res. J. Pharma. Dosage Forms and Tech.2019; 11(2): 131-3
11.    Goldring SR. Inflammatory Mediators as Essential Elements in Bone Remodelling. Calcif Tissue Int2003;73(2): 97-100.
12.    Hadjigogos K. The role of free radicals in the pathogenesis of rheumatoid arthritis. Panminerva Medica, 2003; 45 (1): 7– 13.
13.    Premkumar B. Antioxidant Defense and Disease activity in Rheumatoid Arthritis. Research J. Pharm. and Tech 2018; 11(5): 1810- 4.
14.    Kundu S, Bala A, Ghosh P, Mitra A, Sarkar A, Bauri AK et al. Attenuation of oxidative stress by Allylpyrocatechol in synovial cellular infiltrate of patients with Rheumatoid Arthritis. Free Radical Res, 2011; 45: 518–26.
15.    Phull AR, Nasir B, Haq I, Kim SJ. Oxidative stress, consequences and ROS mediated cellular signaling in rheumatoid arthritis. Chem. Biol. Interact, 2018; 281: 121–36.
16.    Shweta S, Saurabh T, Shalini T, Sunil Kumar. A Review- Herbal Cure for Rheumatoid Arthritis. Res. J. Pharmacognosy and Phytochem. 2016; 8(1): 37-40.
17.    Schmidt AM, Yan SD, Yan SF, Stern DM. The multiligand receptor RAGE as a progression factor amplifying immune and inflammatory responses. J Clin Invest 2001; 108: 949-55.
18.    Yu-Jung H, Hye-Jwa O, Young Ok J, Mi-La C, Seon-Yeong L, Jun- Geol Y et al. The expression of the receptor for advanced glycation end-products (RAGE) in RA-FLS is induced by IL-17 via Act- 1.Arthritis Research and Therapy 2011; 13: 113-25.
19.    Drinda S, Franke S, Ruster M, Petrow P, Pullig O, Stein G et al. Identification of the receptor for advanced glycation end products in synovial tissue of patients with rheumatoid arthritis. Rheumatol Int, 2005; 7: 817-24.
20.    Sangeeta M, Abhisek, Sudam CS. Flavonoid as Nutraceuticals: A Therapeutic approach to Rheumatoid Arthritis. Research J. Pharm. and Tech 2020; 13(2): 991-8.
21.    Suma HK, Kumar V, Senthilkumar U, Kumara PM , Ravikanth G, Santhoshkumar TR, Shaanker RU. Pyrenacantha volubilis Wight, (Icacinaceae) a rich source of camptothecine and its derivatives, from the Coromandel Coast forests of India.Fitoterapia, 2014; 97: 105-10.
22.    Anjali P, Vimalavathini R, and Kavimani S.Insilico docking of camptothecin with the pathological mediators of rheumatoid arthritis. EAS J Pharm and Pharmacol 2020; 2 (2): 18-22.
23.    Jackson JK, Higo T, Hunter WL, Burt HM. Topoisomerase inhibitors as anti-arthritic agents. Inflamm. Res. 2008; 57: 126-34.
24.    Sujitha B, Kripa KG. Anti-arthritic and anti-Inflammatory polyphenols from Caryota urens L.: A Molecular docking Analysis. Research J. Pharm. and Tech 2020; 13(9): 4269-4273.
25.    Aparna hiren PK, Priyanka P, Samiksha W. Association of herbal plant in Rheumatoid Arthritis studies using in silico approach. IJARIIT, 2019; 5(3): 1648-54.
26.    Rengel Y, Ospelt C, Gay S. Proteinases in the joint: Clinical relevance of proteinases in joint destruction. Arthritis Res Ther, 2007; 9: 221-31.
27.    Pattanayak P, Behera P, Das D, Panda SK. Ocimum sanctum Linn. A reservoir plant for therapeutic applications: an overview. Phcog Rev 2010; 4(7): 95–105.
28.    Singh S, Gautam A, Sharma A, Batra A. Centella asiatica (L): a plant with immense medicinal potential but threatened. Int J Pharmaceut Sci Rev Res 2010; 4(2): 9–17.
29.    Matchado MS, Arulmozhi S, Singh S. Unraveling the inhibitory activities of Gentiana derivatives against inflammatory response of rheumatoid arthritis using molecular modeling approach. Int J Pharmaceut Chem Res 2018; 10(1): 1–15.
30.    Sun S, Bay-Jensen AC, Karsdal MA, Siebuhr AS, Zheng Q, Maksymowych WP et al. The active form of MMP-3 is a marker of synovial inflammation and cartilage turnover in inflammatory joint diseases. BMC musculoskeletal disorders, 2014; 15(1): 1-8.
31.    Ali AD, Habeeb RA, El-Azizi NO, Khattab DA, Abo-Shady RA, Elkabarity RH. Higher nitric oxide levels are associated with disease activity in Egyptian rheumatoid arthritis patients. Rev Bras Reumatol, 2014; 54(6): 446–51.
32.    Vasanthi P, Nalini G, Rajasekhar G. Status of Oxidative Stress in Rheumatoid Arthritis. Int J Rheum Dis. 2009;12: 29–33.
33.    Phillips DC, Dias HK, Kitas GD, Griffiths HR. Aberrant reactive oxygen and nitrogen species generation in RA: causes and consequences for immune function, cell survival and therapeutic intervention. Antioxid Redox Signal. 2010; 12: 743–85.
34.    Boveris A, Chance B. The mitochondrial generation of hydrogen peroxide. General properties and effect of hyperbaric oxygen. Biochem J. 1973; 134(3): 707–16.
35.    Gorlach A, Brandes RP, Nguyen K, Amidi M, Dehghani F, Busse R. A gp91phox containing NADPH oxidase selectively expressed in endothelial cells is a major source of oxygen radical generation in the arterial wall. Circ Res. 2000; 87(1): 26–32.
36.    Chen Y, Yan W, Geczy C, Brown M, Thomas R. Serum levels of soluble receptor for advanced glycation end-products and of S100proteins are associated with inflammatory, autoantibody, and classical risk markers of joint and vascular damage in rheumatoid arthritis. Arthritis Res Ther 2009;11: R39.
37.    Foelll D, Kane D, Bresnihan B, Vogl T, Nacken W, Sorg C et al. Expression of the pro-inflammatory protein S100A12 (EN-RAGE) in rheumatoid and psoriatic arthritis. Rheumatology 2003; 42: 1383–9.
38.    Yang Z, Tao T, Raftery MJ, Youssef P, Di Girolamo N, Geczy CL. Proinflammatory properties of the human S100 protein S100A12. J Leukoc Biol 2001;69: 986–94.
39.    Venugopala KN, Rashmi V, Odhav B. Review on Natural Coumarin Lead Compounds for Their Pharmacological Activity. Biomed Res. Int, 2013; 1-14.
40.    Pandya AB, Prajapati DG and Pandya SS. Synthesis of novel naphthalene COX inhibitors for anti-inflammatory activity. J Appl Pharm, 2012; 2(8): 226-32.
41.    Tefvik O, Mustafa M and Mehmet T. Screening and Evaluation of Antioxidant Activities of Selected Naphthalene Compounds. JSKM, 2018; 16 (1): 45-55.

Recomonded Articles:

Research Journal of Pharmacy and Technology (RJPT) is an international, peer-reviewed, multidisciplinary journal.... Read more >>>

RNI: CHHENG00387/33/1/2008-TC                     
DOI: 10.5958/0974-360X 

56th percentile
Powered by  Scopus

SCImago Journal & Country Rank

Recent Articles


Not Available