24-Title: In silico computational screening of Tinospora cordifolia against dopamine receptor D2

24-Title: In silico computational screening of Tinospora cordifolia against dopamine receptor D2

Authors: Parul Sharma, Praanjal Agarwal and Ravikumar RK

Source: Ruminant Science (2022)-11(1):113-120.

How to cite this manuscript: Sharma Parul, Agarwal Praanjal and Ravikumar RK (2022). In silico computational screening of Tinospora cordifolia against dopamine receptor D2. Ruminant Science 11(1):113-120.


Developing medications for health care, productivity particularly in dairy animals remains a challenge for the scientific community and industry. Indigenous herbal medications in a different part of society had proved and complemented health care. Phytochemicals of these herbs are of greater interest and scientific evaluation provides more insight, expands the scope of usage. The study analysed 36 phytochemicals of Tinospora cordifolia through in-silico computational model against Dopamine Receptor D2 for their galactopoietic properties. In order to understand the mechanism of action, potent phytochemicals were compared against Metoclopramide, a dopamine receptor antagonist. A total of 10 phytochemicals were identified that had demonstrated druggability nature on par with standard drug attributing to galactogogue properties. Phytochemicals viz., Tinosponone, N-trans-feruloyl tyramine, Magnoflorine, Palmatine, Tetrahydropalmatine, Tinocordifolioside and Tembetarine which had complied with Lipinski’s Ro5 and found superior galactogogue potential than standard drug. Tinosponone demonstrated the highest binding energy (-7.333 Kcal/mol) thereby rationalizing the value of the indigenous system. These features illustrate the utility value of the medicinal herb Tinospora cordifolia as a dietary supplement in enlarging the scope of improvising health care of dairy animals.


Bajpai V, Singh A, Chandra P, Negi MPS, Kumar N and Kumar B (2015). Analysis of phytochemical variations in dioecious Tinospora cordifolia stems using HPLC/QTOF MS/MS and UPLC/QqQLIT-MS/MS. Phytochemical Analysis 27:92-99.

Chokshi M, Patil B, Khanna R, Neogi SB, Sharma J, Paul VK and Zodpey S (2016). Health systems in India. Journal of Perinatology 36(s3):S9-S12.

Ducrot C, Bed’Hom B and Béringue V (2011). Issues and special features of animal health research. Veterinary Record 42:96.

Giday M, Asfaw Z and Woldu Z (2009). Medicinal plant knowledge of the Bench ethnic group of Ethiopia: An ethnobotanical investigation. Journal of Ethnobiology and Ethnomedicine 5:34.

Hernández-Jover M, Hayes L, Woodgate R, Rast L and Jenny-Ann LML (2019). Animal health management practices among smallholder livestock producers in Australia and their contribution to the surveillance system. Frontiers in Veterinary Science 18

Kassam KA, Karamkhudoeva M and Ruelle M (2010) Medicinal plant use and health sovereignty: Findings from the Tajik and Afghan Pamirs. Human Ecology 38:817-829.

Krupanidhi S, Abraham Peele K, Venkateswarulu TC, Vijaya Sai Ayyagari, Md Nazneen Bobby, John Babu D, Venkata Narayana A and Aishwarya G (2020). Screening of phytochemical compounds of Tinosporacordifolia for their inhibitory activity on SARS-CoV-2: An insilico study. Journal of Biomolecular Structure and Dynamics, DOI:10.1080/07391102.2020.1787226.

Lipinski CA, Lombardo F, Dominy BW and Feeney PJ (2001). Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Advanced Drug Delivery Reviews 46:3-26.

Mallick S and  Prakash BS (2011). Influence of feeding Tinospora cordifolia peripartum on lactation parameters in crossbred cows. Journal of Animal Physiology and Animal Nutrition 96:1112-1120.

Peele AK, Durthi CP, Srihansa T, Krupanidhi S, Ayyagari VS, Babu DJ, Indira M, Reddy AR and Venkateswarulu TC (2020). Molecular docking and dynamic simulations for antiviral compounds against SARS-CoV-2: A computational study. Informatics in Medicine Unlocked 19:100345,

Radl DB, Ferraris J, Boti V, Seilicovich A, Sarkar DK and Pisera D (2011) Dopamine-induced apoptosis of lactotropes is Mediated by the short isoform of D2 receptor. PLoS One 6(3):e18097.

Ravi S, Priya B, Dubey P, Thiruvenkatam V and Kirubakaran S (2021). Molecular docking and molecular dynamics simulation studies of quinoline-3-carboxamide derivatives with DDR kinases-selectivity studies towards ATM kinase. Chemistry 3(2):511-524.

Saha S and Ghosh S (2012). Tinospora cordifolia: One plant, many roles. Ancient Science of Life 31(4):151-159.

Sastry MG, Adzhigirey M, Day T, Annabhimoju R and Sherman W (2013). Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments. Journal of Computer-Aided Molecular Design 27:221-234.

Selvam K, Chinnappan Sudhakar, Muthusamy Govarthanan, Periasamy Thiyagarajan, Arumugam Sengottaiyan, Balakrishnan Senthilkumar and Thangasamy Selvankumar (2017). Eco-friendly biosynthesis and characterization of silver nanoparticles using Tinospora cordifolia (Thunb.) Miers and evaluate its antibacterial, antioxidant potential. Journal of Radiation Research and Applied Sciences 10(1):6-12.

Sharma P, Dwivedee NP, Bisht D, Dash AK and Kumar D (2019). The chemical constituents and diverse pharmacological importance of Tinospora cordifolia, Heliyon, 5: https://doi.org/10.1016/j.heliyon.2019.e02437.

Shawahna R, Qiblawi S and Ghanayem H (2018). Which Benefits and Harms of Using Fenugreek as a Galactogogue Need to Be Discussed during Clinical Consultations? A Delphi Study among Breastfeeding Women, Gynecologists, Pediatricians, Family Physicians, Lactation Consultants, and Pharmacists”, Evidence-Based Complementary and Alternative Medicine ID 2418673:13.

Shree P, Mishra P, Selvaraj C, Singh SK, Chaube R, Garg N  and Yamini Bhusan Tripathi YB (2020): Targeting COVID-19 (SARS-CoV-2) main protease through active phytochemicals of ayurvedic medicinal plants – Withania somnifera (Ashwagandha), Tinospora cordifolia (Giloy) and Ocimum sanctum (Tulsi) – A molecular docking study. Journal of Biomolecular Structure and Dynamics 1-14.

Siddiqui MZ, Goli S, Reja T, Doshi R, Chakravorty S, Tiwari C, Kumar NP and Singh D (2017) Prevalence of anemia and its determinants among pregnant, lactating, and nonpregnant nonlactating women in India, https://doi.org/10.1177/2158244017725555

Smith-Hall C, Larsen HO and Pouliot M (2012) People, plants and health: A conceptual framework for assessing changes in medicinal plant consumption. Journal of Ethnobiology and Ethnomedicine 8:43.

Vellanki SP, Dulapalli R, Kondagari B, Nambigari N, Vadija R, Ramatenki V, Dumpati RK and Vuruputuri U (2018). Structural evaluation and binding mode analysis of CCL19 and CCR7 proteins-identification of novel leads for rheumatic and autoimmune diseases: An in-silico study. Interdisciplinary Sciences: Computational Life Sciences 2:346-366.

Vijayalakshmi P, Nisha J and Rajalakshmi M (2014) Virtual screening of potential inhibitor against FtsZ protein from Staphylococcus aureus. Interdisciplinary Sciences: Computational Life Sciences 4:331-339.