Author(s):
Sabeerali Ansarali, Ganapathy Murugan Alagu Lakshmanan, Selvarasuvasuki Manikandan, Shagufta Rashid
Email(s):
gmalakshmanan@gmail.com
DOI:
10.52711/0974-360X.2024.00871 
Address:
Sabeerali Ansarali1, Ganapathy Murugan Alagu Lakshmanan2*, Selvarasuvasuki Manikandan3, Shagufta Rashid4
1Assistant Professor, PG Department of Botany, Sri Vidya Mandir Arts and Science College, Uthangarai 636 902, Krishnagiri, Tamil Nadu, India.
2Department of Botany, Thiru Kolanjiappar Government Arts College, Vridhachalam - 606001, Tamil Nadu, India.
3Guest Lecturer in Botany, Government Arts and Science College, Thittakudi - 606106, Tamil Nadu, India.
4Department of Botany, Annamalai University, Annamalai Nagar - 608002, Chidambaram, Tamil Nadu, India.
*Corresponding Author
Published In:
Volume - 17,
Issue - 12,
Year - 2024
ABSTRACT:
Bone fractures are a prevalent orthopaedic issue that many people experience. While the body can naturally repair a broken bone, the duration of the healing process can range from weeks to years, depending on the injury's severity and potential complications. Different techniques are used in the process of bone healing, including both experimental and computational modeling methods. Computational modeling and simulation have been used to address the limitations of experimental methods. This study focuses on screening and investigating bone healing compounds found in the leaves of Cissus rotundifolia and the stem of Cissus quadrangularis (round-stemmed variant) using molecular docking studies to identify potent compounds for bone healing treatment. GC-MS analysis revealed two active compounds: alpha-methylglucofuranoside and tetradecanoic acid. These compounds were tested against the bone healing protein ABMP2 (ID: 4MID) sourced from the Protein Data Bank (PDB) and showed good docking scores and reasonable stability. In vivo and in-vitro approaches are recommended to further elucidate the molecular mechanisms of these compounds and develop them into potent drugs for treating bone fractures. The present study clearly observed with the screened compounds could possibly develop into potent drugs for treating bone fractures.
Cite this article:
Sabeerali Ansarali, Ganapathy Murugan Alagu Lakshmanan, Selvarasuvasuki Manikandan, Shagufta Rashid. Virtual Screening Studies on Bone Healing Phytochemicals Isolated from Cissus quadrangularis (round variant) and Cissus rotundifolia. Research Journal Pharmacy and Technology. 2024;17(12):5724-8. doi: 10.52711/0974-360X.2024.00871
Cite(Electronic):
Sabeerali Ansarali, Ganapathy Murugan Alagu Lakshmanan, Selvarasuvasuki Manikandan, Shagufta Rashid. Virtual Screening Studies on Bone Healing Phytochemicals Isolated from Cissus quadrangularis (round variant) and Cissus rotundifolia. Research Journal Pharmacy and Technology. 2024;17(12):5724-8. doi: 10.52711/0974-360X.2024.00871 Available on: https://rjptonline.org/AbstractView.aspx?PID=2024-17-12-8
REFERENCE:
1. Abd Jalil MA, Shuid AN, Muhammad N. Role of medicinal plants and natural products on osteoporotic fracture healing. Evidence-Based Complementary and Alternative Medicine (eCAM). 2012; (2012): 714512. doi:10.1155/2012/714512.
2. Basim Mohammed Dhahir, Imad Hadi Hameed, Ahmed Radee Jaber. Prospective and Retrospective Study of Fractures According to Trauma Mechanism and Type of Bone Fracture. Research Journal of Pharmacy and Technology. 2017; 10(11): 3810-3818. doi: 10.5958/0974-360X.2017.00692.8
3. Moran CJ, Ramesh A, Brama PA, O'Byrne JM, O'Brien FJ, Levingstone TJ. The benefits and limitations of animal models for translational research in cartilage repair. Journal of Experimental Orthopaedics. 2016; 3(1): 1-12. doi:10.1186/s40634-015-0037-x.
4. Anil Malik, Neelam Malik, Priyanka Dhiman, Anurag Khatkar, Saloni Kakkar. Molecular docking, synthesis, α-amylase inhibition, urease inhibition and antioxidant evaluation of 4-hydroxy-3-methoxy benzoic acid. Research Journal of Pharmacy and Technology. 2019; 12(12): 5653-5663. doi: 10.5958/0974-360X.2019.00978.8
5. Padmini R, Sitrarasi R, Razia M. Molecular Docking Studies of Bioactive Compounds from Allium sativum Against EML4-ALK Receptor. Research Journal of Pharmacy and Technology. 2017; 10(11): 3741-3747. doi: 10.5958/0974-360X.2017.00679.5
6. Carlier A, Geris L, Lammens J, Van Oosterwyck H. Bringing computational models of bone regeneration to the clinic. Wiley Interdisciplinary Reviews: System Biology and Medicine. 2015; 7(4): 183-194. doi:10.1002/wsbm.1299.
7. Habeela Jainab N, Mohan Maruga Raja, MK. In Silico Molecular Docking Studies on the Chemical Constituents of Clerodendrum phlomidis for its Cytotoxic Potential against Breast Cancer Markers. Research Journal of Pharmacy and Technology, 2018; 11(4): 1612-1618. doi: 10.5958/0974-360X.2018.00300.1
8. Geris L, Reed AA, Vander Sloten J, Simpson AH, Van Oosterwyck H. Occurrence and treatment of bone atrophic non-unions investigated by an integrative approach. PLoS Computational Biology. 2010; 6(9): 1-11. doi:10.1371/journal.pcbi.1000915.
9. Carlier A, van Gastel N, Geris L, Carmeliet G, Van Oosterwyck H. Size does matter: an integrative in vivo-in silico approach for the treatment of critical size bone defects. PLoS Computational Biology. 2014; 10(11): 1-21. doi:10.1371/journal.pcbi.1003888.
10. Mohini Upadhye, Parikshit Gandhi, Mohini Phanse. Pharmacognostical, Phytochemical Studies and Comparative Extraction Techniques of Daucus carota. Research Journal of Pharmacognosy and Phytochemistry. 2014; 6(3): 115-117.
11. Firoj Alam, Badruddeen, Anil Kumar Kharya, Akhtar Juber, Mohammad Irfan Khan. Naringin: Sources, Chemistry, Toxicity, Pharmacokinetics, Pharmacological Evidences, Molecular Docking and Cell line Study. Research Journal of Pharmacy and Technology. 2020; 13(5): 2507-2515. doi: 10.5958/0974-360X.2020.00447.3
12. Kannadasan R, Arnold Emerson I, Saleem Basha MS. Docking of HIV-1 with Neem using Autodock in Bioinformatics. Research Journal of Pharmacy and Technology. 2017; 10(11): 3877-3880. doi: 10.5958/0974-360X.2017.00704.1
13. Lipinski CA, Lombardo F, Dominy BW, Feeney PJ. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Advanced Drug Delivery Reviews. 2001; 46(1-3): 3-26. doi:10.1016/s0169-409x(00)00129-0.
14. Trott O, Olson AJ. AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. Journal Computational Chemistry. 2010; 31(2): 455-461. doi:10.1002/jcc.21334.
15. Enyedy IJ, Egan WJ. Can we use docking and scoring for hit-to-lead optimization?. Journal of computer-aided molecular design. 2008; 22(3-4): 161-168. doi:10.1007/ s10822-007-9165-4.
16. Jeyabaskar Suganya, Viswanathan T, Mahendran Radha, Nishandhini Marimuthu. In silico Molecular Docking studies to investigate interactions of natural Camptothecin molecule with diabetic enzymes. Research Journal of Pharmacy and Technology. 2017; 10(9): 2917-2922. doi: 10.5958/0974-360X.2017.00515.7.
17. Yoon BH, Esquivies L, Ahn C, et al. An activin A/BMP2 chimera, AB204, displays bone-healing properties superior to those of BMP2. Journal of bone and Mineral Research. 2014; 29(9): 1950-1959. doi:10.1002/jbmr.2238.