Advances in Prodrug Design

Silva, Antonio Távora de Albuquerque; Chin, Chung Man; Castro, Lúcia Fioravanti; Güido, Rafael Victório Carvalho; Ferreira, Elizabeth Igne

doi:10.2174/138955705774329528

Cited by 54 publications

(17 citation statements)

References 42 publications

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“…However, the acidic property of Nova2 (513246-99-6) should be taken into account for its oral delivery measure, as it could inflict certain hazard for heartburn patient. In this end, prodrug construction should be considered in its synthesis strategy [63]. …”

Section: Resultsmentioning

confidence: 99%

Utilization of Boron Compounds for the Modification of Suberoyl Anilide Hydroxamic Acid as Inhibitor of Histone Deacetylase Class II Homo sapiens

Bakri

Parikesit

Satriyanto

et al. 2014

Advances in Bioinformatics

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Histone deacetylase (HDAC) has a critical function in regulating gene expression. The inhibition of HDAC has developed as an interesting anticancer research area that targets biological processes such as cell cycle, apoptosis, and cell differentiation. In this study, an HDAC inhibitor that is available commercially, suberoyl anilide hydroxamic acid (SAHA), has been modified to improve its efficacy and reduce the side effects of the compound. Hydrophobic cap and zinc-binding group of these compounds were substituted with boron-based compounds, whereas the linker region was substituted with p-aminobenzoic acid. The molecular docking analysis resulted in 8 ligands with ΔG binding value more negative than the standards, SAHA and trichostatin A (TSA). That ligands were analyzed based on the nature of QSAR, pharmacological properties, and ADME-Tox. It is conducted to obtain a potent inhibitor of HDAC class II Homo sapiens. The screening process result gave one best ligand, Nova2 (513246-99-6), which was then further studied by molecular dynamics simulations.

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Section: Resultsmentioning

confidence: 99%

Utilization of Boron Compounds for the Modification of Suberoyl Anilide Hydroxamic Acid as Inhibitor of Histone Deacetylase Class II Homo sapiens

Bakri

Parikesit

Satriyanto

et al. 2014

Advances in Bioinformatics

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“…Relating (6) to (9) and bearing in mind that variance is proportional to diffusion coefficient, it can be shown that…”

Section: Diffusion-only Molecular Propagation Modelmentioning

confidence: 99%

“…Molecular communication (MC) is realized through the transmission and reception of biochemical information encoded in the concentration and type of molecules. The emergence of MC has found potential applications in fields that include bioengineering [2,3], nanomedicine [4][5][6][7][8][9][10], and environmental safety [11]. Readers shall refer to [1,[12][13][14][15][16] and the references therein for reviews of recent work in MC as well as some potential applications.…”

Section: Introductionmentioning

confidence: 99%

Diffusion-controlled interface kinetics-inclusive system-theoretic propagation models for molecular communication systems

Chude-Okonkwo

Malekian

Maharaj

2015

EURASIP J. Adv. Signal Process.

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Inspired by biological systems, molecular communication has been proposed as a new communication paradigm that uses biochemical signals to transfer information from one nano device to another over a short distance. The biochemical nature of the information transfer process implies that for molecular communication purposes, the development of molecular channel models should take into consideration diffusion phenomenon as well as the physical/biochemical kinetic possibilities of the process. The physical and biochemical kinetics arise at the interfaces between the diffusion channel and the transmitter/receiver units. These interfaces are herein termed molecular antennas. In this paper, we present the deterministic propagation model of the molecular communication between an immobilized nanotransmitter and nanoreceiver, where the emission and reception kinetics are taken into consideration. Specifically, we derived closed-form system-theoretic models and expressions for configurations that represent different communication systems based on the type of molecular antennas used. The antennas considered are the nanopores at the transmitter and the surface receptor proteins/enzymes at the receiver. The developed models are simulated to show the influence of parameters such as the receiver radius, surface receptor protein/enzyme concentration, and various reaction rate constants. Results show that the effective receiver surface area and the rate constants are important to the system's output performance. Assuming high rate of catalysis, the analysis of the frequency behavior of the developed propagation channels in the form of transfer functions shows significant difference introduce by the inclusion of the molecular antennas into the diffusion-only model. It is also shown that for t > > 0 and with the information molecules' concentration greater than the Michaelis-Menten kinetic constant of the systems, the inclusion of surface receptors proteins and enzymes in the models makes the system act like a band-stop filter over an infinite frequency range.

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“…These will include advances in pharmacology directed towards TDD, transport mechanisms for conveying the drugs to the targeted site, and the functional mechanism for administering the drug to the specific site. Pharmacological substances like prodrug [7,8] and nanomachines such as nanobots [9][10][11][12], provide functionalities that can be used in TDD. The application of MC to TDD using biological nanomachines has been introduced by Nakano et al [13].…”

Section: Introduction Molecular Communication (Mc) Is a New Researmentioning

confidence: 99%

Diffusion-controlled enzyme-catalyzed molecular communication system for targeted drug delivery

Chude-Okonkwo

2014

2014 IEEE Global Communications Conference

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In this paper, the prodrug activation capability of enzymes is used to model and study a molecular communication (MC) system for targeted drug delivery (TDD). Specifically, we string together fundamental ideas from nano-robotics, particle diffusion and enzyme-catalyzed kinetics, to present an MC-based TDD model using a set of ordinary differential equations (ODE). We also derived closed-form analytical expressions for the input and output information of the system, and present their corresponding numerical results. Results show that the ratio of the receiver surface area to the enzyme concentration is important to the system's performance in terms of the deliverable potent drug concentration at the targeted site.

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Advances in Prodrug Design

Cited by 54 publications

References 42 publications

Utilization of Boron Compounds for the Modification of Suberoyl Anilide Hydroxamic Acid as Inhibitor of Histone Deacetylase Class II Homo sapiens

Utilization of Boron Compounds for the Modification of Suberoyl Anilide Hydroxamic Acid as Inhibitor of Histone Deacetylase Class II Homo sapiens

Diffusion-controlled interface kinetics-inclusive system-theoretic propagation models for molecular communication systems

Diffusion-controlled enzyme-catalyzed molecular communication system for targeted drug delivery

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