DITO ANUROGO

NIM: 15/387982/PKU/15204

S2 IKD Biomedis FK UGM Yogyakarta 2016

Framework
Introduction
Definition and Application
-Nanotechnology Bioinformatics
-Nanoparticles -Definition
-Sources of Data Used in Bioinformatics
-Nanomedicine -Docking algorithms and Molecular Docking
-Biotechnology -Protein Ligand Docking
-Components of Docking Software
-Nanobiotechnology
-Nanotechnology in Nanoimmunology
Biotechnology -Nanomedicine-based Therapeutics
-Nanomedicine in -Dendrimers
-Nanoimmunotechnology
Bionanotechnology
-Theranostics Summary
-Application
Nanomedicine in Further Reading
Neuroscience
(Original Idea, Dito Anurogo, 10 April 2016)

Nanotechnology Immunology

Neuroscience Nanoimmunobiotechnomedicine Bioinformatics

(NiBTM)

Basic – Applied Technology Medicine

Dobrovolskaia MA, McNeil SE. | Nature Nanotechnology | VOL 2 | AUGUST 2007 | page 469 - 478 |
Application Nanomedicine in Neuroscience
Paradigm shifts during the past
couple of decades have taken
much of biology away from the
laboratory bench and have
allowed the integration of other
scientific disciplines, specifically
computing. The result is an
expansion of biological research
in breadth and depth.
 How scientists can use bioinformatics
to aid rational drug discovery

1. MLH1 is a human gene encoding a mismatch repair protein (mmr)

situated on the short arm of chromosome 3.
2. Through linkage analysis and its similarity to mmr genes in mice,
the gene has been implicated in nonpolyposis colorectal cancer.
3. Given the nucleotide sequence, the probable amino acid sequence of
the encoded protein can be determined using translation software.
4. Sequence search techniques can be used to find homologues in
model organisms, and based on sequence similarity, it is possible to
model the structure of the human protein on experimentally
characterised structures.
5. Finally, docking algorithms could design molecules that could bind
the model structure, leading the way for biochemical assays to test
their biological activity on the actual protein.
 Quantitative
structure activity
relationship
(QSAR) studies
Halperin I, et al (2002)
 comparative
molecular
similarity indices
comparative molecular field analysis
analysis (CoMFA) (CoMSIA)

Important structural findings and SAR from QSAR studies.

S.G. Bhansali & V.M. Kulkarni (2014)
*It is estimated that approximately 240 nano-enabled
products entered pharmaceutical ‘pipelines’ in 2006.
*Nanoparticles can have many different shapes and
chemical compositions, which means that their
properties can be engineered to make them suitable
for a specific biomedical application.
*Nanoparticles can be administered via nasal, oral,
intraocular, pulmonary (lungs) and other routes.
Dendrimers are a class of well-defined
nanostructured macromolecules that possess
narrow mass or size polydispersity and tree-like
architecture distinguished by exponential
numbers of discrete dendritic branches radiating
out from a common core.
Potential applications of
dendrimers.
(a) Dendrimer drug conjugates,
dendrimers linked to targeting
moieties and imaging agents.
(b) Encapsulation of the drugs
in the dendritic interiors.
(c) Dendrimers incorporated
into various delivery systems
for enhancing permeation,
solubility and so on.
(d) Dendrimers as complexing
agents.
(e) Dendrimers as carriers for
MRI and fluorescent imaging.
Immunostimulatory properties
- Antigenicity
- Adjuvant properties
- Inflammatory responses
- Uptake mechanisms

Immunosuppressive properties
- down-regulation of the immune response
- E.g: immunosuppressive effects of dendrimer–glucosamine conjugates
can potentially treat and prevent scar tissue formation.
- Cholesterylbutyrate-conjugated solid lipid nanoparticles reduced
neutrophil adhesion to inflammation-activated endothelial cells and are
currently considered for treating colon ulcers.
Cell uptake of materials and the different pathways. a, Cell uptake of nanoparticles by mannose
receptor- (MR-), complement receptor- (CR -), and immunoglobulin Fcγ receptor- (FcγR)
mediated pathways elicit inflammatory responses and may affect toll-like receptor (TLR)
signalling, which in turn affects various intracellular signalling intermediates.
Cell uptake of materials and the different pathways. b, nanoparticles (NP) taken up via MR, FcγR
and CR pathways elicit an immune response but it is possible to engineer nanoparticles for
uptake via noninflammatory pathways such as the scavenger receptor (SR-) mediated pathway. IL
1-R: interleukin 1 receptor; LPS : lipopolysaccharide; NE: nanoemulsion; LNC : lipid nanocapsule;
IgG: immunoglobulin G.
 Nanoparticle properties determine their
interaction with the immune
system.

a, The effect of nanoparticle size, charge, hydrophobicity and

targeting on immunotoxicity.
b, Some nanoparticles
(shown schematically)
can trigger certain
immune responses as
listed here.
A characterization
scheme for
nanoparticles intended
for biomedical
applications must
include testing for
these responses.
Such tests may exclude
a potentially harmful
drug candidate from
the development
pipeline and inform
future studies relevant
to the
immunomodulatory
properties of
nanoparticles.
There is a connection and intimate relationship between
nanotechnology, immunology, neuroscience, bioinfromatics, basic-
applied technology, and medicine. This interconnection reveals
nanoimmunobiotechnomedicine (NiBTM).
Recent researches must be supported by government and
stakeholders to make a better application both in medicine and
public health fields.
Chaudhury K, Kumar V, Kandasamy J, RoyChoudhury S. Regenerative nanomedicine: current perspectives and future directions.
International Journal of Nanomedicine 2014:9;4153–67.

S.G. Bhansali & V.M. Kulkarni (2014) Combined 2D and 3D-QSAR, molecular modelling and docking studies of pyrazolodiazepinones as
novel phosphodiesterase 2 inhibitors, SAR and QSAR in Environmental Research, 25:11, 905-937.

Kubinová Š, Syková E. Nanotechnology for treatment of stroke and spinal cord injury. Nanomedicine 2010;5(1):99–108.

Gaudin A, Karine A, Couvreur P. Nanomedicines and stroke: Toward translational research. Journal of Drug Delivery Science and
Technology 2015; 30:278-299.

Dobrovolskaia MA, McNeil SE. Immunological properties of engineered nanomaterials. Nature Nanotechnology 2007;2:469-78.

Halperin I, Ma B, Wolfson H,Nussinov R. Principles of Docking: An Overviewof Search Algorithms and a Guide to Scoring Functions.
PROTEINS: Structure, Function, and Genetics 47:409–443 (2002)

http://www.molfunction.com/software5.htm