Insilco based drug discovery

The pharmaceutical business in the global environment will have to be competitive. The central activities of pharmaceutical research are drug design and delivery. Drug designs the design or discovery of molecular structures which fit certain receptor sites in the protein. The role of computational modeling in drug design is highly developed, dominated by a mature methodology involving techniques such as Quantitative Structure Activity Relationships (QSAR), Ligand Docking, and Molecular Dynamics.

The objective of the Insilco drug designing is to build models of metabolic systems and simulate and analyze them for the rational design of more efficacious drugs. The focus for the research is many dangerous diseases which are of world's most significant health concerns.

This Insilco drug designing will focus on the drug discovery pipeline and how systems biology can play a role in each of the steps, particularly in the identification and validation of new drug targets. Target validation has traditionally been a laborious process, dependent on animal models and in vivo experiments. Insilco drug designing has developed Target on viruses, an Insilco target validation tool for many bacterial, viral based diseases.

The computational model for drug designing makes industry’s R&D faster a bit. This new role for informatics—at the core of a new pharmaceutical R&D process focused on delivering more and better drugs in a shorter time period. Human ingenuity should again prove to be the pharmaceutical industry’s ultimate driver in creating treatment for poorly or previously untreated diseases.

http://www.pharmainfo.net/praveenpharma

http://www.pharmainfo.net/gokulpharma

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Comments

Bhavani Prasad.V's picture

Dear praveen & gokul,
Its a very nice presentation.
CAn you tell me what are PREDICT 3D GPCR models?

Regards,
Bhavani Prasad.V

kpraveen's picture

Dear Bhavani prasad,
i appreciate your doubt. these are the recent technologies to know the drug therapeutic value and also has some opportunities to invent new drugs by means of 3D structures in system by use of softwares.

Regards,
Praveen.

Regards

Praveen

INCHARGE OF STUDENTS CORNER RCP
Bhavani Prasad.V's picture

Ok.. CAn you tell me the full form of GPCR?

Regards,
Bhavani prasad

kpraveen's picture

HI bhavani prasad,
GPCR means G-protien coupled receptors:these are the largest super family of cell surface receptors and indeed of all protien families.....these are useful in computer-aided drug design effort...

Regards

Praveen

INCHARGE OF STUDENTS CORNER RCP
vbsishwarya's picture

hi,praveen
nice topic.
Are there any disadvantages of this Insilco drug designing ?
How far it is beeing used?
Regards,
Aishwarya

kpraveen's picture

hi aishwarya,
yes,there is a disvantage,a person who is preparing the drug or discovering the drug by technology :1)must have complete knowledge on the structure of a drug and on soft wares.2)technical skills should be neded.
so far some drugs like tolbutamide drug has been discovered.

Regards

Praveen

INCHARGE OF STUDENTS CORNER RCP
saikuldeeproy's picture

hi praveen,
your ppt is good
as you have told some drugs are prepared and you also gave an example also so now my doubt is Is this in practice in india???

Hi praveen,
You and gokul have done a very good job!After coming to know this type of new type of drug delivery,i would like to know how is it being administered into the body?Also tell me when was it developed,by whom and what are its advantages over other type of dosage forms?

Regards

Uma Pratyusha

Event co-ordinator.

KGGOKULKRISHNA's picture

ADME -it is nothing but the process of drug's Absorption-Distribution-Metabolism-Excretion.

AND the dosage form is mainly ORAL.

AND William J. Egan, Gregor Zlokarnik and Peter. D.J. Grootenhuis have long standing experience in ADMET in silico modeling within the pharmaceutical industry. They review the state of the art in computational approaches for identifying genotoxicity, hepatoxicity, cardiotoxicity and cytochrome P-450 inhibition.

Regards


Gokul.

padmaja sreerangam's picture

hi Praveen
your ppt is good
i have some doubts.... wht is ADME..i dint get some points...now is insilico based technology something like in vitro and in vivo?? i mean in vitro is in lab in vivo is on the animals is insilico computer based??? Can u explain the term in sillico more clearly?? Can u explain me the mechanics study in a simpler way???

KGGOKULKRISHNA's picture

ADME -it is nothing but the process of drug's Absorption-Distribution-Metabolism-Excretion...

the name insilico itself shows dat da drugs prepared with da help of computers...as data is stored on silicon chips of da computer..it is called insilico drug discovery...
.by computational methods da clinical phase trials can be estimated earliar.bec of computer DATABASE..which is pre-feeded wid da help of softwares.....

'hope you might have understood about our ppt.
regards,
gokul

Regards


Gokul.

kishorepharma's picture

Nice presentation guys..

Can you tell me whats the basic reason for introducing this Insilico drug delivery system??

Regards
Kishore

KGGOKULKRISHNA's picture

after comin thru da topic also..if dats a doubt.i shall expalin it to you...

da main reason for insilico drug discovery,is da quicker desiginin and production of NEW drugs can be done within a shortime..as da sudden diseases now a days are mostly due viral & bacterial outgrowth,so dis system helps in drug dessiginin at a very faster rate, not only less time..but also low of cost production wen compared wid dat of traditional way...

regards,
gokul.

Regards


Gokul.