Journal of Kerman University of Medical Sciences

Natural Phytochemicals as Modulators of Hypoxia Inducible Factors: A Bioinformatics Analysis

Document Type : Original Article

Authors

Nalini Devarajan 1
Chanthini Kanagaraj Muthu-Pandian 2
Karthick Rajendran 3
Pavithra Amritkumar 1
Mukesh Kumar Dharmalingam Jothinathan, 4
Susithra E 5
Ramalingam Mathangi 6

1 Department of Research, Meenakshi Academy of Higher Education and Research (MAHER-Deemed to be University), Chennai, Tamil Nadu, India

2 Department of Pharmacology, Saveetha Medical College and Hospital, Saveetha Institute of Medical and Technical Sciences (SIMATS), Chennai, Tamil Nadu, 602105, India

3 Multidisciplinary Research Unit (MRU), Madras Medical College (MMC), Chennai, Tamil Nadu, India

4 Department of Biochemistry Saveetha Medical College and Hospital Saveetha Institute of Medical and Technical Sciences (SIMATS) Saveetha University, Chennai, India

5 College of Pharmacy, University Accreditation Coordinator, Sri Venkateswara University, Chennai, Tamil Nadu, India

6 Department of Biochemistry, Sree Balaji Dental College and Hospital, (BIHER-Deemed to be University), Chennai, Tamil Nadu, India

https://doi.org/10.34172/jkmu.4236
Abstract
Introduction: Hypoxia-inducible factor 1 alpha (HIF-1α) is critically involved in regulating cellular responses to low oxygen conditions, and its dysregulation has been implicated in multiple malignancies. In these malignancies, HIF-1α activates a cascade of molecular events that promote tumorigenesis, making it an attractive therapeutic target. This study aimed to identify natural compounds with the potential to inhibit HIF-1α activity.
Methods: We sourced chemical structures of potential inhibitors from the PubChem database and performed molecular docking simulations using PyRx. The binding affinities and interactions between the compounds and HIF-1α were analyzed through PyMOL visualization.
Results: Among the natural compounds tested, Berberine exhibited the most promising inhibitory activity, showing the strongest binding affinity with a docking score of -8.6 kcal/mol. These results suggest that Berberine binds effectively to key amino acid residues within the catalytic site of HIF-1α, potentially hindering its activity.
Conclusion: This study highlights Berberine as a candidate for further investigation as a therapeutic agent, with potential for in vivo and in vitro testing.

Keywords

Molecular docking
Simulation
Tumor hypoxia
Phytochemicals
Berberine
Subjects
 
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Journal of Kerman University of Medical Sciences
Volume 33
Pages 1-5

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