Unit

-sh. (Thho duetion of Daru Deig)

guantitasik sbye kote betuean a biobogisl,

amatkma tial'Reafonship
9sHe
deihion of math metieal Fojimada, wth
gSAR in olve the aetitha to 'hein vneayuna bla
Rela tea he biologieal
ehygio ckemien poane taga,
?yThqe pwvamefer fofluenee doug ac tiity
io logieal achivily' Funehom (paamefea)
poam efer
2·Ekeroni paametei- Hae eieloetonie
3'8teie poramefept, Taft gteie paiam efey

what oie the yayioug app noach used 'in dzrug desig
and mentiom phygiochemiead, poyametea, yged imn goAR
Angi Dyug désign :
Mo

go,

dsigning on

(te aytorl. fo de eadeg

Ö) s byuctone bayed dorug degign

 mol oub or daig that bindh to oresplez
Any
Sod hig mehs ddoug daigned
ofbjond that binde

-Mechanigim e tidiwm Un kno iwn

"ay
-Ligand and ten biolagical astitky keu

Amo}he
fhe bys of
rM
o doigning of drug

"Dn this metho s-D (Hiee dimengiomal] otueforeof

ton get xepon 8. obtained thotough
tTX -Rayg

indin thoyhenmethod
donug daignediactutding to fe apton stauoe

hanim kmowm
and thebn
Ligandkmoum eTodgieal achity
nkm owm

phygio chemical patorneto sed in gunm fitative stuefote

aatiity Relation shípl (3saR)n
Vanio y panametesUgAd 'im gsAR
Ligophide payameten
cu) Ele.ctronie poiameter : Hamimet elae toronie po1a vmefet
stei poiametor : "Tatl's steie poramefeq
el Coeffient (P' The portion to-efficien t i
defined
Patfitisn dxfibuted bfu ongnie phoge ond
tHhegeouy
nato.
ized
niomiz
phaye af'equiltbium
Fojmula: in organiR phoge
in A phaae
the sobute -oy the Ratio oent
Conc im tw
*(P) i

-Algo knon ay Iydno phobi gukstftfuent conytmt

he. ontoi bu ton That a group imake
TRe Repngt the,
to the* pott tion oefiiet andwere dotined
PRH

) istjbution Coe fivent: The Ratio of he Concentyafom

in feso deyent
im wj3ei4Le solventu (solvent 1and salyent 2 That aje in
Physieal Contact)
volume.
k=

Elac benie prameten :

Havnme: Fle tion't paane te." the Hlammets eliafion
in onganie chemity deila a Linea Fnce-enoyy
eywtkaim
Rela lionghip Relating Reaction ates and
Cogtant Fon Many Rcacton in olini Benzoie Aud doia uvg
uith wete-poia suhtents to' ah otes wh jyt two
Poiametor a sustitunte Cone tant and a Reseion
Reae
Covs fant
Q) stoie Paiametety :
Taf 4's steie poiainefe (Es): ob tained by compnim ats
ty datolsis of suytitu ted aligha tie Egter
esten unde aidis Condifon

kx = Reprn qate of£ Hydoelgs of aliphatic gter tavi

substitedxX -
 Ihe buksize aid hope of adug witl nflume
eay fproneh and
site
at he bindet the
id eat."in teae hen b/
-Ralky sudeitent hely oiicnt doruq
Popen ty Fo ma imum
jv)
() HANSe H Aralygis : Hochi and co uon ke m
canly 349.piápeged Maltigestamefe 4p trioah

foand
Hansth phanned that drug ation may, welL be
de vided into, 2'
The trnpont of the dug to its site of achomii
The Bin ding of the toiget bite
-* $otA
AQSAR ezuaton Relatng Varioug phygiohemieah
Propotiea to Hhe Bilogieal acfitofi serie
of ompoun de

stauetoe and Hhesie

Typieal equn tion fonia wila
foyabelia
Log Ve= k;? - kp"+ k; +kqEg + ks!
Sar wiat isi phema upkoe Holelting and ockiny tehiqua.
Arys phag mai copkene Modeling

in mod euli f doug

Respongibl fon dzuj
acti om
so, phetmaca phone moddling is he fec bmology scd to iden kif
and dgig phátna cophoye and yatt the poibe inteachn
be tween o ligand and Aeuy ton
Moleea doo king is ay method which am aye
the. Qon fonmatiom and ayientaton 9Amo laenla into the
binding site of a maeTomokeulan tanget mepto.
3 Mode developmenti
osdait a torain inj set, of.Ligond
tonformatonal

() valida ton...
() eon fonin otionab analygbi 61enpiat, a sçt ofLou enengy
a

tow firmafon cthat) is Aikey tei, dontin the gio actve

onto mation for each of he selae ted maleele

Aon each of ow eneigg Com binart on of he molab

similen (8i gteric) funptional geCoiynon to, all
molcula he to fited 1

Appieationi Ta Hodem Coipitätona' ichemisoy pharmaco

ohe ome morei molaaule with Same bio Jogi eal ac t ity.
phonacs phene. , aste also Used itheistating point
39 - QrAR Modelg.
ta DoekinA Techmiqu
"ke moleeula imodeling, ko aking
method which prieiet the prefened. on ien taho
one mols.aude,ts setondashe Qound to each othen
to fom astabla conplap
Khouladfo of he prefoßtl ohientotion in torm
otnit. Befueen

Törget
Ihe ayo ciahon Petue an Biolo gieally Relayant maleugi
Such
and

Fot ther ate the Reda f/e vomian taution i,te tiy

izna

doaking:
Pioteim

Prefeinpieteim infsiasie,

ealled dieot dockimg' aÀ

Dosking Hethod i
) Momts Caio method
me:
) stimalafed anmealing
tO Point Gmpktientony ched
) Tubu enoehy.

Define, conbimatoial chemistay:

aplieation.
Combiatonial' ehenisty:l...
Combinateniol chemiatay
Miyed
chemiandi
so, Com binoteria hHs echnigue nwhick mumibey
lad moaeules (ebemieal

gingla proesau
Compoundy hats
tots eai mo bede symn thgized.by
TDiaditional methody ean be symtheaized by qmbimatonial

zaton strategi that allou fiyhn though putand

 * Afew poro tee ing goup dyed im dold phase oy hoi
" Fot Amine An ineg
- Poe Ct-butoj egbonyo
Thn see (a-Cbinc thylsil] eAsnyeanbony)
solid Phese snthgis:
colalbrty
Boun d on a gaid sypport t mateyial.
The sten frng mateialö profected atalt Reacfive
Funetion&. grop
onbiollad eye
d oecten

The Atlan tege ofgotil phaje Syntes neads the

abiity to ye eur, Rengemt'.to Pyh Reaetony
Campletion and he eny ptifieafon ohe

chemieal Reae tion simut täin~oigli; refqaly

d/fetent
atoie eaation vesseh (alomg witA Ter ti ony
nine to mewtalize ibenated kymochloris Aeid)
eubating önd porforim ing diynid -tiuid
er4taetio.
Eva po atim of the etude amimy whith ean be