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Computational Analysis of Lenalidomide and Pomalidomide Enantiomers' Binding Interactions With Prostaglandin (PG)-Protein: Implications for Inflammatory Activity in Cancer.
Tiwari, Kalpana; Kumar, Vikas; Kumar, Ashish; Sharma, Ambika; Vardhan, Gyan; Dhamija, Puneet.
Afiliación
  • Tiwari K; Pharmacology, Institute of Medical Sciences, Banaras Hindu University, Varanasi, IND.
  • Kumar V; Pharmacology, All India Institute of Medical Sciences, Bathinda, Bathinda, IND.
  • Kumar A; Laboratory Animal Facility, All India Institute of Medical Sciences Rishikesh, Rishikesh, IND.
  • Sharma A; Biochemistry, U.P. Pt. Deen Dayal Upadhyaya Veterinary Science University and Cattle Research Institute, Mathura, IND.
  • Vardhan G; Pharmacology, All India Institute of Medical Sciences Rishikesh, Rishikesh, IND.
  • Dhamija P; Pharmacology, All India Institute of Medical Sciences Rishikesh, Rishikesh, IND.
Cureus ; 16(2): e55294, 2024 Feb.
Article en En | MEDLINE | ID: mdl-38558718
ABSTRACT

BACKGROUND:

Lenalidomide and Pomalidomide are chiral immunomodulatory drugs (IMiDs) and have antiangiogenic and anti-immunomodulatory activity. Each enantiomer may have distinct binding and biological activity. This study aimed to explore the in-silico binding of both enantiomers of Lenalidomide and Pomalidomide with Prostaglandin and its potential impact on persisting inflammatory activity in cancer. This can further provide insight into the transport of pro-inflammatory mediators and their potential implications for the inflammatory microenvironment within tumors. MATERIALS AND

METHODS:

Molecular docking studies were performed to explore the binding potential of both enantiomers of Lenalidomide and Pomalidomide with Pg protein. The crystal structure of Pg-protein (PDB ID 1IW7) was obtained from the Protein Data Bank.

RESULTS:

The binding energies for (-)-Lenalidomide and (+)-Lenalidomide were -6.7 and -7.2 kcal/mol, respectively, while the binding energies for (-)-Pomalidomide and (+)-Pomalidomide were -7.8 and -8.1 kcal/mol, respectively. The binding mode analysis revealed that all four compounds formed hydrogen bonds with key amino acid residues of Pg-protein. The hydrogen bond distances for (-)-Lenalidomide, (+)-Lenalidomide, (-)-Pomalidomide, and (+)-Pomalidomide were 2.1 Å, 2.0 Å, 2.2 Å, and 2.1 Å, respectively.

CONCLUSIONS:

The present study suggests that both enantiomers of Lenalidomide and Pomalidomide have a high affinity for Pg-protein and can effectively target the Pg-protein pathway to persist inflammatory activity in cancer. By targeting inflammation-mediated processes, these drugs may offer a novel strategy to combat tumor progression.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Cureus Año: 2024 Tipo del documento: Article Pais de publicación: Estados Unidos
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Cureus Año: 2024 Tipo del documento: Article Pais de publicación: Estados Unidos