Drug Design and Development 2013
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Transcript of Drug Design and Development 2013
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PHARMACEUTICALPHARMACEUTICAL
CHEMISTRY RESEARCHCHEMISTRY RESEARCHPROJECTS 2013PROJECTS 2013
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RESEARCH AREASRESEARCH AREAS
1. Drug Design & Discovery1. Drug Design & Discovery
(Dr. J. Joubert & Prof. S. Malan)(Dr. J. Joubert & Prof. S. Malan)
2. Drug Synthesis & Biological2. Drug Synthesis & Biologicalvaluation !gainst "athogenicvaluation !gainst "athogenic
Microbes (Dr. J. Joubert & Prof S. Malan)Microbes (Dr. J. Joubert & Prof S. Malan)
#. Phytoche$istry (Prof P. agles)#. Phytoche$istry (Prof P. agles)
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1. Drug design and Dis!"er# $1. Drug design and Dis!"er# $
%eur!&r!'e'i"e C!(&!unds%eur!&r!'e'i"e C!(&!unds
Drug %esignDrug %esign Biological activityBiological activityan% "hysical'che$ical "ro"erties.an% "hysical'che$ical "ro"erties.
Dr. J. Joubert, Prof. S.F. Malan and co-workers
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Targe's )!r %eur!&r!'e'i!nTarge's )!r %eur!&r!'e'i!n
alciu$ ho$eostasesalciu$ ho$eostases
alciu$ channelsalciu$ channels *MD! rece"tor channels*MD! rece"tor channels
n+y$e syste$s involve% inn+y$e syste$s involve% inneuro%egenerationneuro%egeneration
,-i%ative casca%e,-i%ative casca%e
*,S an% M!,'B.*,S an% M!,'B.
NOS-reaction
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Resear* +i'*in drug designResear* +i'*in drug design
ea% co$"oun%sea% co$"oun%s he$ical synthesishe$ical synthesis
%rugs in use%rugs in use *e/ co$"oun%s fro$*e/ co$"oun%s fro$
"lants"lants Molecular $o%elingMolecular $o%eling
Synthesis an%Synthesis an%characteri+ationcharacteri+ation
Biological activityBiological activity In vitroIn vitro
In vivoIn vivo
,*0
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Protein $o%elingProtein $o%eling ece"tor ece"tor n+y$e fit n+y$e fit
33igan%fit4igan%fit4
33Doc5ing4Doc5ing4
M!,eu,ar (!de,ingM!,eu,ar (!de,ing
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S#n'*esis andS#n'*esis and
C*ara'erisa'i!nC*ara'erisa'i!n*02
1
2
0
06*02
(1) !$anta%ine 1 7 0 2 7 0(2) Me$antine 1 7 06 2 7 06
(6) i$anta%ine
R
O
O
O
OHO O
O O
(a)
O
(i) Dean-Strark(ii) NaBH4 /methanol-THF
(ii) HO(CH2)2OH(iv) Huang-Minlon(v) NH2OH, NaBH4
NH
OH
(vi) N2CHCO2Et(vii) F3B.OEt
(viii) NaCl, DMSO,H2O, N2
O
O O
1; R = benzylamine
2; R = phenyhydrazyne
3a; R = 4-nitrobenzylamine3b; R = 3-nitrobenzylamine3c; R = 2-nitrobenzylamine
4a; R = 4-methoxybenzylamine4b; R = 3-methoxybenzylamine4c; R = 2-methoxybenzylamine
5a; R = 3-methylpyridine5b; R = 4-methylpyridine
9; R = phenylethylamine
(ix) 30%H2O2,
SeO2,t-Butanol
12
R1
8
R1
11
6 7R = benzylamine
Synthesis and
characeterization withNM, MS and !.
7 *,2 7 *02 7 *(208)2 7 *(609)2 7 *(#0:)2
*
,0
7 *,2 7 *02 7 *(208)2 7 *(609)2 7 *(#0:)2
*
,0
7 *,2 7 *02 7 *(208)2 7 *(609)2 7 *(#0:)2
*
,0
7 *,2 7 *02 7 *(208)2 7 *(609)2 7 *(#0:)2
*
,
7 *,2 7 *02 7 *(208)2 7 *(609)2 7 *(#0:)2
*
,
7 *,2 7 *02 7 *(208)2 7 *(609)2 7 *(#0:)2
*
,
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-i!,!gia, e"a,ua'i!n -i!,!gia, e"a,ua'i!n In "i'r! / InIn "i'r! / In
"i"! "i"!
';< '#< '2< < 2<
'
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2. S#n'*esis !) %!"e,H#rid2. S#n'*esis !) %!"e,H#rid
M!,eu,es / -i!,!gia, E"a,ua'i!n $M!,eu,es / -i!,!gia, E"a,ua'i!n $
Ma,aria and Dengue )e"er Ma,aria and Dengue )e"er
=nhibitory !ctivity=nhibitory !ctivity
esistance reversal in Microorganis$sesistance reversal in Microorganis$s
Microsco"ic evaluationMicrosco"ic evaluation
Molecular Stu%iesMolecular Stu%ies
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3. PHYTOCHEMISTRY Pr!) Eag,es3. PHYTOCHEMISTRY Pr!) Eag,es
Phytoche$istry is the stu%y of "hytoche$icals "ro%uce%Phytoche$istry is the stu%y of "hytoche$icals "ro%uce%
in "lants %escribing the isolation "urification i%entification an%in "lants %escribing the isolation "urification i%entification an%
structure of the large nu$ber of secon%ary $etabolic co$"oun%sstructure of the large nu$ber of secon%ary $etabolic co$"oun%s
foun% in "lants.foun% in "lants.
Techniques commonly used in the field of phytochemistryTechniques commonly used in the field of phytochemistry
??@hin layer chro$atogra"hy (@)@hin layer chro$atogra"hy (@)
??Ael (colu$n chro$atogra"hy)Ael (colu$n chro$atogra"hy)
??0igh "erfor$ance of liui% chro$atogra"hy (0P)0igh "erfor$ance of liui% chro$atogra"hy (0P) ??Aas chro$atogra"hy (A)Aas chro$atogra"hy (A)
??Mass s"ectro$etryMass s"ectro$etry
