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FRA · Lens · Unveiling the Therapeutic Potential of Bauhinia racemosa High-Throughput Screening for Hypoxia-Induced Receptor Inhibitors in Sickle Cell Disease (SCD)

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Article · Volume 15, Issue 2 · pp. 66–77

Unveiling the Therapeutic Potential of Bauhinia racemosa High-Throughput Screening for Hypoxia-Induced Receptor Inhibitors in Sickle Cell Disease (SCD)

Mohammad Nadeem Khan1, Mahak Bhandari2, Sanjay Vyas3, Shushil Upadhayay4, Praveen Chandra Dubey5

  1. 1Department of Pharmacology (Clinical Pharmacology), Sri Aurobindo Medical College and PG Institute, Sanwer Road, Indore, Madhya Pradesh, INDIA.
  2. 2Department of Surgery, Sri Aurobindo Medical College & PG Institute, Sri Aurobindo University, Ujjain-Indore State Highway, Indore, Madhya Pradesh, INDIA.
  3. 3Department of Microbiology and Horticulture, Government Holker Science College, Indore, Madhya Pradesh, INDIA.
  4. 4Department of Interrogative Medicine, Project-Co-Ordinator CSR/CER/Activity Traditional Healer, Sri Aurobindo University, Ujjain-Indore State Highway, Indore, Madhya Pradesh, INDIA.
  5. 5Department of Forest, Chairman SEAC-Committee, Bhopal, Ex-PCCF, Madhya Pradesh, INDIA.

Abstract

Background: Sickle Cell Disease (SCD) is a major genetic disorder with significant morbidity and mortality, particularly among tribal populations in Madhya Pradesh, India. The prevalence of sickle cell hemoglobin among these communities ranges from 10-33%, with about 0.7% suffering from SCD. Hypoxia plays a central role in the pathophysiology of SCD, and the inhibition of Hypoxia-Inducible Factor (HIF) Prolyl Hydroxylase (PHD) proteins has emerged as a promising therapeutic strategy.Aim and Objectives: This study investigates Bauhinia racemosa's ethnomedicinal uses in Central India, screens its phytochemicals for inhibitory activity against HIF-PHD proteins, and evaluates their binding affinity, stability, and interactions through in silico docking, comparing results with standard inhibitors like Desidustat.Materials and Methods: Ethnobotanical fieldwork in Alirajpur, Jhabua, and Dhar identified medicinal uses of Bauhinia racemosa. Twelve bioactive compounds were screened and evaluated via in silico docking, RMSD analysis, and receptor-ligand interaction studies, comparing them with known HIF inhibitors.Results: Out of the twelve screened phytochemicals, compounds such as Quercetin, Stigmasterol, and 3-O-Methylquercetin exhibited high binding affinity scores ranging from -10.7 to -12.9 kcal/ mol, surpassing the standard inhibitors like Desidustat (-9.7 kcal/mol). RMSD analysis showed these phytochemicals formed stable complexes with the HIF-PHD receptor. Strong hydrogen bonding and hydrophobic interactions further enhanced the receptor-ligand binding stability, indicating a high therapeutic potential.Conclusion: Bauhinia racemosa phytochemicals exhibit strong inhibitory potential against HIF-PHD proteins, demonstrating superior binding affinity and stability compared to standard inhibitors, offering promising therapeutic prospects for hypoxia-related disorders.

Keywords: Bauhinia racemosa; Hypoxia-inducible factor; HIF Prolyl hydroxylase; Molecular; docking; Receptor-ligand interactions; Phytochemicals; Ethnomedicinal knowledge; Drug; discovery; Hypoxia-related disorders

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