Innovative CDR Grafting and Computational Methods for PD-1 Specific Nanobody Design DOI
Jagadeeswara Reddy Devasani,

G. Girijasankar,

P. Nalini

et al.

Authorea (Authorea), Journal Year: 2024, Volume and Issue: unknown

Published: Aug. 28, 2024

The development of nanobodies aimed at Programmed cell death protein-1 (PD-1) presents a hopeful direction in cancer immunotherapy. This study an integrated silico approach for designing and characterizing PD-1 specific nanobody through Complementarity-Determining Region (CDR) grafting. Utilizing AlphaFold2, we predicted the three-dimensional structure these engineered nanobody, followed by molecular docking simulations performed with ClusPro to assess binding interactions PD-1. Subsequent physicochemical analyses were conducted using various web-based tools evaluate stability, solubility, other relevant properties. Finally, MD employed investigate stability conformational behaviour under physiological conditions. Our results demonstrate potential computationally designed as viable candidates further

Language: Английский

Nanoscale warriors against viral invaders: a comprehensive review of Nanobodies as potential antiviral therapeutics DOI Creative Commons
Vaishali Verma,

N. D. Sinha,

A. Raja

et al.

mAbs, Journal Year: 2025, Volume and Issue: 17(1)

Published: April 9, 2025

Viral infections remain a significant global health threat, with emerging and reemerging viruses causing epidemics pandemics. Despite advancements in antiviral therapies, the development of effective treatments is often hindered by challenges, such as viral resistance emergence new strains. In this context, novel therapeutic modalities essential to combat notorious viruses. While traditional monoclonal antibodies are widely used for treatment several diseases, nanobodies derived from heavy chain-only have emerged promising "nanoscale warriors" against infections. Nanobodies possess unique structural properties that enhance their ability recognize diverse epitopes. Their small size also imparts properties, improved bioavailability, solubility, stability, proteolytic resistance, making them an ideal class therapeutics review, we discuss role antivirals various Techniques developing nanobodies, delivery strategies covered, challenges opportunities associated use therapies discussed. We offer insights into future nanobody-based research support managing

Language: Английский

Citations

1

Innovative CDR grafting and computational methods for PD-1 specific nanobody design DOI Creative Commons
Jagadeeswara Reddy Devasani, Girijasankar Guntuku,

Nalini Panatula

et al.

Frontiers in Bioinformatics, Journal Year: 2025, Volume and Issue: 4

Published: Jan. 17, 2025

The development of nanobodies targeting Programmed Cell Death Protein-1 (PD-1) offers a promising approach in cancer immunotherapy. This study aims to design and characterize PD-1-specific nanobody using an integrated computational experimental approach. An silico strategy was employed, involving Complementarity-Determining Region (CDR) grafting construct the sequence. three-dimensional structure predicted AlphaFold2, molecular docking simulations via ClusPro were conducted evaluate binding interactions with PD-1. Physicochemical properties, including stability solubility, analyzed web-based tools, while dynamics (MD) assessed under physiological conditions. produced purified Ni-NTA chromatography, validation performed through Western blotting, ELISA, dot blot analysis. Computational findings demonstrated favorable interactions, stability, physicochemical properties nanobody. Experimental results confirmed nanobody's specific affinity PD-1, ELISA analyses providing evidence robust interaction. highlights potential combining approaches for engineering nanobodies. engineered PD-1 exhibits characteristics, making it strong candidate further testing immunotherapy applications.

Language: Английский

Citations

0

Innovative CDR Grafting and Computational Methods for PD-1 Specific Nanobody Design DOI
Jagadeeswara Reddy Devasani,

G. Girijasankar,

P. Nalini

et al.

Authorea (Authorea), Journal Year: 2024, Volume and Issue: unknown

Published: Aug. 28, 2024

The development of nanobodies aimed at Programmed cell death protein-1 (PD-1) presents a hopeful direction in cancer immunotherapy. This study an integrated silico approach for designing and characterizing PD-1 specific nanobody through Complementarity-Determining Region (CDR) grafting. Utilizing AlphaFold2, we predicted the three-dimensional structure these engineered nanobody, followed by molecular docking simulations performed with ClusPro to assess binding interactions PD-1. Subsequent physicochemical analyses were conducted using various web-based tools evaluate stability, solubility, other relevant properties. Finally, MD employed investigate stability conformational behaviour under physiological conditions. Our results demonstrate potential computationally designed as viable candidates further

Language: Английский

Citations

0