Computational and Experimental Binding Mechanism of DNA-drug Interactions

2019 ◽  
Vol 24 (32) ◽  
pp. 3739-3757 ◽  
Author(s):  
Chandrabose Selvaraj ◽  
Sanjeev K. Singh
Keyword(s):  
Small Molecules ◽  
Self Assembly ◽  
Genetic Material ◽  
Dna Interaction ◽  
Significant Feature ◽  
Drug Molecules ◽  
Potential Applications ◽  
Novel Drug ◽  
Groove Binders ◽  
Molecular Docking And Dynamics

Nucleic acid is the key unit and a predominant genetic material for interpreting the fundamental basis of genetic information in an organism and now it is used for the evolution of a novel group of therapeutics. To identify the potential impact on the biological science, it receives high recognition in therapeutic applications. Due to its selective recognition of molecular targets and pathways, DNA significantly imparts tremendous specificity of action. Examining the properties of DNA holds numerous advantages in assembly, interconnects, computational elements, along with potential applications of DNA self-assembly and scaffolding include nanoelectronics, biosensors, and programmable/autonomous molecular machines. The interaction of low molecular weight, small molecules with DNA is a significant feature in pharmacology. Based on the mode of binding mechanisms, small molecules are categorized as intercalators and groove binders having a significant role in target-based drug development. The understanding mechanism of drug-DNA interaction plays an important role in the development of novel drug molecules with more effective and lesser side effects. This article attempts to outline those interactions of drug-DNA with both experimental and computational advances, including ultraviolet (UV) -visible spectroscopy, fluorescent spectroscopy, circular dichroism, nuclear magnetic resonance (NMR), molecular docking and dynamics, and quantum mechanical applications.

Function and Application of Calixarene Derivatives

2014 ◽  
Vol 887-888 ◽  
pp. 647-650
Author(s):  
Ri Hong Tan
Keyword(s):  
Liquid Crystal ◽  
Self Assembly ◽  
Main Compound ◽  
Molecule Reaction ◽  
Drug Molecules ◽  
Crystal Properties ◽  
Potential Applications ◽  
New Type ◽  
Molecular Catalysis ◽  
Macrocyclic Molecules

Calixarene is the third generation of the main compound. Its molecular recognition, simulation enzyme catalysis, molecular catalysis, analytical chemistry, self-assembly, and other areas of research have made great progress. calixarene represent a well-known family of macrocyclic molecules with broad range of potential applications in engineering materials fields. calixarene derivatives for simulating biological system, or in the form of new drug molecules targeting molecule reaction vessel, molecular switches, etc.; Under certain conditions because some new calixarene derivatives with the liquid crystal properties, so some new type of liquid crystal materials can be screened and prepared.

scholarly journals The viral capsid as novel nanomaterials for drug delivery

2021 ◽  
pp. FSO744
Author(s):  
Alaa AA Aljabali ◽  
Sk Sarif Hassan ◽  
Ritesh M Pabari ◽  
Seyed H Shahcheraghi ◽  
Vijay Mishra ◽  
...  
Keyword(s):  
Drug Delivery ◽  
Self Assembly ◽  
Viral Particle ◽  
Surface Engineering ◽  
Plant Viruses ◽  
Particle Dynamics ◽  
Vaccine Production ◽  
Selective Distribution ◽  
Drug Molecules ◽  
Potential Applications

The purpose of this review is to highlight recent scientific developments and provide an overview of virus self-assembly and viral particle dynamics. Viruses are organized supramolecular structures with distinct yet related features and functions. Plant viruses are extensively used in biotechnology, and virus-like particulate matter is generated by genetic modification. Both provide a material-based means for selective distribution and delivery of drug molecules. Through surface engineering of their capsids, virus-derived nanomaterials facilitate various potential applications for selective drug delivery. Viruses have significant implications in chemotherapy, gene transfer, vaccine production, immunotherapy and molecular imaging.

Porphyrin-functionalized coordination star polymers and their potential applications in photodynamic therapy

2019 ◽  
Vol 10 (45) ◽  
pp. 6116-6121 ◽  
Author(s):  
Tan Ji ◽  
Lei Xia ◽  
Wei Zheng ◽  
Guang-Qiang Yin ◽  
Tao Yue ◽  
...  
Keyword(s):  
Photodynamic Therapy ◽  
Self Assembly ◽  
Star Polymers ◽  
New Family ◽  
Potential Applications

We present a new family of porphyrin-functionalized coordination star polymers prepared through combination of coordination-driven self-assembly and post-assembly polymerization. Their self-assembly behaviour in water and potential for photodynamic therapy were demonstrated.

Enzyme-Instructed Self-assembly in Biological Milieu for Theranostics Purpose

2019 ◽  
Vol 26 (8) ◽  
pp. 1351-1365 ◽  
Author(s):  
Zhentao Huang ◽  
Qingxin Yao ◽  
Simin Wei ◽  
Jiali Chen ◽  
Yuan Gao
Keyword(s):  
Small Molecules ◽  
Precision Medicine ◽  
Self Assembly ◽  
Public Healthcare ◽  
Enzymatic Conversion ◽  
Vaccine Adjuvants ◽  
New Paradigm ◽  
Cancer Treatments ◽  
The Past ◽  
Biological Milieu

Precision medicine is in an urgent need for public healthcare. Among the past several decades, the flourishing development in nanotechnology significantly advances the realization of precision nanomedicine. Comparing to well-documented nanoparticlebased strategy, in this review, we focus on the strategy using enzyme instructed selfassembly (EISA) in biological milieu for theranostics purpose. In principle, the design of small molecules for EISA requires two aspects: (1) the substrate of enzyme of interest; and (2) self-assembly potency after enzymatic conversion. This strategy has shown its irreplaceable advantages in nanomedicne, specifically for cancer treatments and Vaccine Adjuvants. Interestingly, all the reported examples rely on only one kind of enzymehydrolase. Therefore, we envision that the application of EISA strategy just begins and will lead to a new paradigm in nanomedicine.

An Update on Recent Advances in Cubosome: A Novel Drug Delivery System

2021 ◽  
Vol 21 ◽  
Author(s):  
Madhukar Garg ◽  
Anju Goyal ◽  
Sapna Kumari
Keyword(s):  
Drug Delivery ◽  
Drug Delivery System ◽  
Lipid Bilayers ◽  
Delivery System ◽  
Liquid Crystalline ◽  
Three Dimensional ◽  
Biologically Active ◽  
Potential Applications ◽  
Health Related ◽  
Novel Drug

: Cubosomes are highly stable nanostructured liquid crystalline dosage delivery form derived from amphiphilic lipids and polymer-based stabilizers converting it in a form of effective biocompatible carrier for the drug delivery. The delivery form comprised of bicontinuous lipid bilayers arranged in three dimensional honeycombs like structure provided with two internal aqueous channels for incorporation of number of biologically active ingredients. In contrast liposomes they provide large surface area for incorporation of different types of ingredients. Due to the distinct advantages of biocompatibility and thermodynamic stability, cubosomes have remained the first preference as method of choice in the sustained release, controlled release and targeted release dosage forms as new drug delivery system for the better release of the drugs. As lot of advancement in the new form of dosage form has bring the novel avenues in drug delivery mechanisms so it was matter of worth to compile the latest updates on the various aspects of mentioned therapeutic delivery system including its structure, routes of applications along with the potential applications to encapsulate variety drugs to serve health related benefits.

Nano sensors: Designing and Fabrication, Applications for flexible devices and Future Perspectives

2020 ◽  
Vol 16 ◽  
Author(s):  
Muhammad Bilal Tahir ◽  
Aleena Shoukat ◽  
Tahir Iqbal ◽  
Asma Ayub ◽  
Saff-e Awal ◽  
...  
Keyword(s):  
Self Assembly ◽  
Multidisciplinary Approach ◽  
Future Perspectives ◽  
Flexible Devices ◽  
More Care ◽  
Potential Applications ◽  
Nano Sensors ◽  
Mechanical Sensor ◽  
Small Models ◽  
Near Future

: The field of nanosensors has been gaining a lot of attention due to its properties such as mechanical and electrical ever since its first discovery by Dr. Wolter and first mechanical sensor in 1994. The rapidly growing demand of nanosensors has become profitable for a multidisciplinary approach in designing and fabrication of materials and strategies for potential applications. Frequent stimulating advancements are being suggested and established in recent years and thus heading towards multiple applications including food safety, healthcare, environmental monitoring, and biomedical research. Nanofabrication being an efficient method has been used in different industries like medical pharmaceutical for their complex functional geometry at a lower scale. These nanofabrications apply through different methods. There are five most commonly known methods which are frequently used, including top-down lithography, molecular self-assembly, bottom-up assembly, heat and pull method for fabrication of biosensors, etching for fabrication of nanosensors etc. Nanofabrication help at the nanoscale to design and work with small models. But these models due to their small size and being sensitive need more care for use as well as more training and experience to do work with. All methods used for nanofabrication are good and helpful. But more preferred is molecular self-assembly as it is helpful in mass production. Nanofabrication has become an emerging and developing field and it assumed that in near future our world is known by the new devices of nanofabrication.

scholarly journals Optimizing the self‐assembly of conjugated polymers and small molecules through structurally programmed non‐covalent control

2021 ◽  
Author(s):  
William J. Mullin ◽  
Seth A. Sharber ◽  
Samuel W. Thomas
Keyword(s):  
Conjugated Polymers ◽  
Small Molecules ◽  
Self Assembly ◽  
The Self

scholarly journals Application of Cryo-Electron Microscopy on Drug Discovery

2021 ◽  
Vol 27 (S1) ◽  
pp. 3250-3250
Author(s):  
Viswanath Vittaladevaram ◽  
Kranthi Kuruti
Keyword(s):  
Electron Microscopy ◽  
Protein Complexes ◽  
Lead Discovery ◽  
Biologically Relevant ◽  
Biological Targets ◽  
3 Dimensional ◽  
Drug Molecules ◽  
Cryo Electron Microscopy ◽  
Therapeutic Molecules ◽  
Novel Drug

AbstractThe key aspect for development of novel drug molecules is to perform structural determination of target molecule associated with its ligand. One such tool that provides insights towards structure of molecule is Cryo-electron microscopy which covers biological targets that are intractable. Examination of proteins can be carried out in native state, as the samples are frozen at -175 degree Celsius i.e. cryogenic temperatures. In addition to this, there were no limits for molecular and functional structures of proteins that can be imagined in 3-dimensional form. This includes ligands which unravel mechanisms that are biologically relevant. This will enable to better understand the mechanisms that are used for development of new therapeutics. Application of Cryo-electron microscopy is not limited to protein complexes and is considered as non-specific. Intervention of Cryo-EM would allow to analyse the structures and also able to dissect the interaction with therapeutic molecules. The study determines the usage of cryo-EM for providing resolutions that are acceptable for lead discovery. It also provides support for lead optimization and also for discovery of vaccines and therapeutics.

scholarly journals Supramolecular Nanofibers from Collagen-Mimetic Peptides Bearing Various Aromatic Groups at N-Termini via Hierarchical Self-Assembly

2021 ◽  
Vol 22 (9) ◽  
pp. 4533
Author(s):  
Tomoyuki Koga ◽  
Shinya Kingetsu ◽  
Nobuyuki Higashi
Keyword(s):  
Self Assembly ◽  
Triple Helix ◽  
Wavelength Conversion ◽  
Nile Red ◽  
Tem Analysis ◽  
Mimetic Peptides ◽  
Collagen Mimetic Peptides ◽  
Potential Applications ◽  
Hydrophobic Molecule ◽  
Emission Behavior

Self-assembly of artificial peptides has been widely studied for constructing nanostructured materials, with numerous potential applications in the nanobiotechnology field. Herein, we report the synthesis and hierarchical self-assembly of collagen-mimetic peptides (CMPs) bearing various aromatic groups at the N-termini, including 2-naphthyl, 1-naphtyl, anthracenyl, and pyrenyl groups, into nanofibers. The CMPs (R-(GPO)n: n > 4) formed a triple helix structure in water at 4 °C, as confirmed via CD analyses, and their conformations were more stable with increasing hydrophobicity of the terminal aromatic group and peptide chain length. The resulting pre-organized triple helical CMPs showed diverse self-assembly into highly ordered nanofibers, reflecting their slight differences in hydrophobic/hydrophilic balance and configuration of aromatic templates. TEM analysis demonstrated that 2Np-CMPn (n = 6 and 7) and Py-CMP6 provided well-developed natural collagen-like nanofibers and An-CMPn (n = 5–7) self-assembled into rod-like micelle fibers. On the other hand, 2Np-CMP5 and 1Np-CMP6 were unable to form nanofibers under the same conditions. Furthermore, the Py-CMP6 nanofiber was found to encapsulate a guest hydrophobic molecule, Nile red, and exhibited unique emission behavior based on the specific nanostructure. In addition to the ability of CMPs to bind small molecules, their controlled self-assembly enables their versatile utilization in drug delivery and wavelength-conversion nanomaterials.

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