The peptides could also improve CNT's drug delivery properties by assisting the hydrophobic nanoparticle in accommodating MT-targeting hydrophilic and hydrophobic drugs, with considerable binding affinity, as discussed in the paper.ġ. The CNT-bound peptides could increase the functionality of the CNT as a drug carrier by improving its water solubility and bioavailability. The CNT-functionalizing peptides discussed in this paper are the functionally essential MT segments involved with its polymerization–depolymerization processes and belong to the drug binding sites in MT. They are crucial targets in drug discovery for developing anti-cancer drugs that inhibit MT-dependent cancerous cell division. MTs are hollow, cylindrical shape biopolymers that form the cell structure. Design, System, Application A strategy is proposed for the non-covalent functionalization of carbon nanotubes (CNTs) based on biomimicry of the cytoskeletal protein, microtubule (MT). A combination of the select amphiphilic peptides from both tubulin subunits is suggested to improve CNTs bioavailability and efficiency for carrying insoluble hydrophobic cargos. Specific mutations on the wildtype peptides, including those from the α-tubulin M-loop and H2–B3, or the β-tubulin H1–B2, are proposed to refine their hydrophobicity, eliminate unfavorable inter-peptides electrostatic interactions or the spatial hindrance at certain regions and to enhance their conformational steadiness and exposure to the tube surface. The peptides played dual roles displaying affinities to the antimitotics and the CNT in particular, the peptides from the H1–B2 and H2–B3 loops of β-tubulin exhibited exceptional binding properties. The CNT–peptides structural composition was identified as a suitable carrier for phomopsin A, laulimalide, epothilone A, epothilone D, discodermolide, eribulin, and docetaxel. The performance of the peptide-functionalized CNTs as drug carriers was examined by studying seventeen antimitotics. In particular, the peptides consisting of the H1–B2, H10, H1–B2, and the M-loop, demonstrated structural features that serve to augment CNTs' water solubility and dispersibility. The hydrodynamic shield formed by the peptides from β-tubulin was more widespread on the CNT than the α-tubulin peptides' however, the latter created a broader hydrophobic CNT coating than those from the β-tubulin. Utilizing in silico methods, this study showed the peptides influenced CNT's diffusivity and aqueous solubility. They also participate in forming the MT-binding sites for hosting several MT-targeting antimitotics. The peptides are involved in the MT polymerization by maintaining the essential lateral interactions among the MT's α- and β-tubulin subunits. For functionalization, select amphiphilic peptides from a cytoskeletal biopolymer, microtubule (MT), were used. We propose a bioinspired, non-covalent carbon nanotubes (CNTs) functionalization strategy to augment their bioavailability and alleviate their biotoxicity.

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