PAMAM–guanylthiourea conjugates mask furin's substrate binding site: mechanistic insights from molecular docking and molecular dynamics studies assist the design of potential furin inhibitors

Nair, Chithra R.; Kumaran, S.

doi:10.1039/d3nj00703k

New J. Chem.

2023

DOI: 10.1039/d3nj00703k

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PAMAM–guanylthiourea conjugates mask furin's substrate binding site: mechanistic insights from molecular docking and molecular dynamics studies assist the design of potential furin inhibitors

Chithra R. Nair

S. Kumaran

Abstract: PAMAM-guanylthiourea conjugates as potential furin inhibitors.

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2024

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Cited by 2 publications

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Guanidinium-based Integrated Peptide Dendrimers: Pioneer Nanocarrier in Cancer Therapy

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Abstract:: The landscape of cancer therapy has witnessed a paradigm shift with the emergence of innovative delivery systems, and Guanidinium-based Peptide Dendrimers have emerged as a vanguard in this transformative journey. With their unique molecular architecture and intrinsic biocompatibility, these dendrimers offer a promising avenue for the targeted delivery of therapeutic cargo in cancer treatment. This comprehensive review delves into the intricate world of Guanidinium- based Peptide Dendrimers, unraveling their structural intricacies, mechanisms of action, and advancements that have propelled them from laboratory curiosities to potential clinical champions. Exploiting the potent properties of guanidinium, these dendrimers exhibit unparalleled precision in encapsulating and transporting diverse cargo molecules, ranging from conventional chemotherapeutics to cutting-edge nucleic acids. The review navigates the depths of their design principles, investigating their prowess in traversing the complex terrain of cellular barriers for optimal cargo delivery. Moreover, it delves into emerging trends, such as personalized therapeutic approaches, multimodal imaging, and bioinformatics-driven design, highlighting their potential to redefine the future of cancer therapy. Crucially, the review addresses the pivotal concerns of biocompatibility and safety, examining cytotoxicity profiles, immune responses, and in vivo studies. It underscores the importance of aligning scientific marvels with the stringent demands of clinical applications. Through each section, the narrative underscores the promises and possibilities that Guanidinium-based Peptide Dendrimers hold and how they can potentially reshape the landscape of precision cancer therapy.

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PAMAM–guanylthiourea conjugates mask furin's substrate binding site: mechanistic insights from molecular docking and molecular dynamics studies assist the design of potential furin inhibitors

Abstract: PAMAM-guanylthiourea conjugates as potential furin inhibitors.

Cited by 2 publications

References 42 publications

Building synergistic nanoplatforms via dendrimer-small organic molecule handshakes: Heterocycle ligation as a promising strategy

Building synergistic nanoplatforms via dendrimer-small organic molecule handshakes: Heterocycle ligation as a promising strategy

Guanidinium-based Integrated Peptide Dendrimers: Pioneer Nanocarrier in Cancer Therapy

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