Research Article


DOI :10.26650/IstanbulJPharm.2022.1058189   IUP :10.26650/IstanbulJPharm.2022.1058189    Full Text (PDF)

Comparative assessment of different nanobodies that inhibit the interaction of B7-1/2 with CD28 as a potential therapeutic target for immune-related diseases by molecular modeling

Halil İbrahim BulutNail BeşliGüven Yenmiş

Background and Aims: Active T cells are central players in the self-defense system as well as in immune-related diseases. Being crucial for T cell activation, the interaction of B7-1/2 with CD28 is associated with T cell activation-related diseases such as alloreactivity in transplantation and autoreactivity in autoimmune disorders. Nanobodies are the recombinant variable and single-domain smallest antigen-binding fragments. The focus of this study is to investigate the interactions between B7-1/2 and eight antibodies at the molecular level utilizing computational methods, and to guide the best nanobody for in-vitro and in-vivo studies about immunosuppressive Methods: After receiving the 3D models of agents via Robetta, molecular docking techniques were used to compare the binding modes and affinities of six nanobodies and two FDA-approved fusion protein models against B7-1/2(CD80/CD86). Results: According to our in silico outputs, we selected the top of model clusters from HADDOCK 2.4 (Z-Score of CD80/CD86:- 2.7 to -1.3/-2.1 to -2.1) and distinguished that 1A1 and 1B2 have higher affinities than Belatacept and Abatacept for the percentage of a calculation scale. Conclusion: Our findings suggest that selected nanobodies show higher affinity by interacting with the CD80/86 epitope regions and provide helpful insights into the design and improvement of further computational investigations of nanobody modeling.


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APA

Bulut, H.İ., Beşli, N., & Yenmiş, G. (2022). Comparative assessment of different nanobodies that inhibit the interaction of B7-1/2 with CD28 as a potential therapeutic target for immune-related diseases by molecular modeling. İstanbul Journal of Pharmacy, 52(3), 289-296. https://doi.org/10.26650/IstanbulJPharm.2022.1058189


AMA

Bulut H İ, Beşli N, Yenmiş G. Comparative assessment of different nanobodies that inhibit the interaction of B7-1/2 with CD28 as a potential therapeutic target for immune-related diseases by molecular modeling. İstanbul Journal of Pharmacy. 2022;52(3):289-296. https://doi.org/10.26650/IstanbulJPharm.2022.1058189


ABNT

Bulut, H.İ.; Beşli, N.; Yenmiş, G. Comparative assessment of different nanobodies that inhibit the interaction of B7-1/2 with CD28 as a potential therapeutic target for immune-related diseases by molecular modeling. İstanbul Journal of Pharmacy, [Publisher Location], v. 52, n. 3, p. 289-296, 2022.


Chicago: Author-Date Style

Bulut, Halil İbrahim, and Nail Beşli and Güven Yenmiş. 2022. “Comparative assessment of different nanobodies that inhibit the interaction of B7-1/2 with CD28 as a potential therapeutic target for immune-related diseases by molecular modeling.” İstanbul Journal of Pharmacy 52, no. 3: 289-296. https://doi.org/10.26650/IstanbulJPharm.2022.1058189


Chicago: Humanities Style

Bulut, Halil İbrahim, and Nail Beşli and Güven Yenmiş. Comparative assessment of different nanobodies that inhibit the interaction of B7-1/2 with CD28 as a potential therapeutic target for immune-related diseases by molecular modeling.” İstanbul Journal of Pharmacy 52, no. 3 (Feb. 2023): 289-296. https://doi.org/10.26650/IstanbulJPharm.2022.1058189


Harvard: Australian Style

Bulut, Hİ & Beşli, N & Yenmiş, G 2022, 'Comparative assessment of different nanobodies that inhibit the interaction of B7-1/2 with CD28 as a potential therapeutic target for immune-related diseases by molecular modeling', İstanbul Journal of Pharmacy, vol. 52, no. 3, pp. 289-296, viewed 1 Feb. 2023, https://doi.org/10.26650/IstanbulJPharm.2022.1058189


Harvard: Author-Date Style

Bulut, H.İ. and Beşli, N. and Yenmiş, G. (2022) ‘Comparative assessment of different nanobodies that inhibit the interaction of B7-1/2 with CD28 as a potential therapeutic target for immune-related diseases by molecular modeling’, İstanbul Journal of Pharmacy, 52(3), pp. 289-296. https://doi.org/10.26650/IstanbulJPharm.2022.1058189 (1 Feb. 2023).


MLA

Bulut, Halil İbrahim, and Nail Beşli and Güven Yenmiş. Comparative assessment of different nanobodies that inhibit the interaction of B7-1/2 with CD28 as a potential therapeutic target for immune-related diseases by molecular modeling.” İstanbul Journal of Pharmacy, vol. 52, no. 3, 2022, pp. 289-296. [Database Container], https://doi.org/10.26650/IstanbulJPharm.2022.1058189


Vancouver

Bulut Hİ, Beşli N, Yenmiş G. Comparative assessment of different nanobodies that inhibit the interaction of B7-1/2 with CD28 as a potential therapeutic target for immune-related diseases by molecular modeling. İstanbul Journal of Pharmacy [Internet]. 1 Feb. 2023 [cited 1 Feb. 2023];52(3):289-296. Available from: https://doi.org/10.26650/IstanbulJPharm.2022.1058189 doi: 10.26650/IstanbulJPharm.2022.1058189


ISNAD

Bulut, Halilİbrahim - Beşli, Nail - Yenmiş, Güven. Comparative assessment of different nanobodies that inhibit the interaction of B7-1/2 with CD28 as a potential therapeutic target for immune-related diseases by molecular modeling”. İstanbul Journal of Pharmacy 52/3 (Feb. 2023): 289-296. https://doi.org/10.26650/IstanbulJPharm.2022.1058189



TIMELINE


Submitted15.01.2022
Accepted19.07.2022
Published Online30.12.2022

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