Pharmacophore recombination for the identification of small molecule drug lead compounds
First Claim
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1. A method for screening a library of small organic molecules for one or more candidate target binding fragments (CTBF'"'"'s) that bind to a target biological molecule (TBM), each CTBF having a linkable functional group (LFG) or blocked form thereof (BLFG), wherein the LFG or BLFG contains a disulfide linking group (LG), the method comprising:
- (a) contacting the TBM with individual members of a library of the CTBF;
(b) detecting or determining which CTBF'"'"'s bind to the TBM; and
(c) selecting CTBF'"'"'s that bind to the TBM;
wherein the library is represented by the formula;
CTBF-S-S-R8wherein R8 isa straight chain or branched alkyl of 1 to 10 carbon atoms that is optionally substituted with up to five groups selected from the group consisting of halide, alkyl, aryl, heteroaryl, carboxy ester, carboxamide, amino, n-acylamino, alkoxy, hydroxy, mercapto, phosphono and sulphono;
oran aryl or heteroaryl that is optionally substituted with halide, alkyl, aryl, halide, heteroaryl, carboxy ester, carboxamide, amino, n-acylamino, alkoxy, hydroxy, mercapto or phosphono;
and wherein each CTBF of the library further comprises at least a second LG selected from the group consisting of amide, secondary amine, ureido, thiourea, carbamate and sulfonamide.
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Abstract
A library of candidate target binding fragments (CTBF'"'"'s) each CTBF being a small organic molecule and having a linkable functional group (LFG) or blocked form thereof (BLFG), wherein the LFG or BLFG contains a linking group (LG), the LG being a disulfide group.
12 Citations
22 Claims
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1. A method for screening a library of small organic molecules for one or more candidate target binding fragments (CTBF'"'"'s) that bind to a target biological molecule (TBM), each CTBF having a linkable functional group (LFG) or blocked form thereof (BLFG), wherein the LFG or BLFG contains a disulfide linking group (LG), the method comprising:
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(a) contacting the TBM with individual members of a library of the CTBF; (b) detecting or determining which CTBF'"'"'s bind to the TBM; and (c) selecting CTBF'"'"'s that bind to the TBM; wherein the library is represented by the formula;
CTBF-S-S-R8wherein R8 is a straight chain or branched alkyl of 1 to 10 carbon atoms that is optionally substituted with up to five groups selected from the group consisting of halide, alkyl, aryl, heteroaryl, carboxy ester, carboxamide, amino, n-acylamino, alkoxy, hydroxy, mercapto, phosphono and sulphono;
oran aryl or heteroaryl that is optionally substituted with halide, alkyl, aryl, halide, heteroaryl, carboxy ester, carboxamide, amino, n-acylamino, alkoxy, hydroxy, mercapto or phosphono; and wherein each CTBF of the library further comprises at least a second LG selected from the group consisting of amide, secondary amine, ureido, thiourea, carbamate and sulfonamide. - View Dependent Claims (2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22)
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Specification