Siwar Abu Saiefen1,
Beesan Arda2,
Donya Jarrar1,
Safwan Zbidat1,
Mira Khader1,
Siba Shanak1 
,
Hilal Zaid3,4
For correspondence:- Siba Shanak Email: siba.shanak@aaup.edu Tel:00970-4-2418888
Received: 5 April 2025 Accepted: 18 February 2026 Published: 05 March 2026
Citation: Saiefen SA, Arda B, Jarrar D, Zbidat S, Khader M, Shanak S, et al. Computer-aided drug discovery of the plausible action of curcuminoids and sesquiterpenes in regulating haemorrhage. Trop J Pharm Res 2026; 25(2):171-180 doi: https://dx.doi.org/10.4314/tjpr.v25i2.4
© 2026 The authors.
This is an Open Access article that uses a funding model which does not charge readers or their institutions for access and distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0) and the Budapest Open Access Initiative (http://www.budapestopenaccessinitiative.org/read), which permit unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited..
Purpose: To elucidate the relationship between selected plant-derived phytochemicals and blood clotting mechanisms. Methods: AutoDock 4.2 and Autodock tools 1.5.6 were used to find the best binding sites based on the scores of free energies and the equilibrium constants for binding. The best orientation for ligand-protein binding was studied, and the amino acids involved at the binding interface among selected phytochemicals of plant origin and each protein target were investigated. Results: Demethoxycurcumin proved to be the most favorable in silico binding profile among the tested phytochemicals, as reflected by lower binding free energy values and inhibition constants across the four target proteins; however, experimental validation through in vitro and in vivo studies was required. Conclusion: Demethoxycurcumin can plausibly aid in relieving blood coagulation. Further in vitro, in vivo and clinical studies can be conducted to verify this phytochemical as a potential drug.
Fulltext in PDF