Method of drug design

A method of identifying biologically active compounds comprising:

• (a) designing a first library of compounds of formula 1 to scan molecular diversity wherein for each compound of the first library R2 and one of R1, R3, R4, and R5 as defined below are pharmacophoric groups and the remainder of R1, R3, R4, and R5 are non-pharmacophoric groups;
• (b) assessing the first library of compounds in one or more biological activity assay(s);
• and
• (c) designing a second library wherein for each compound of the second library the substituents R1 to R5 comprise the two pharmacophoric groups identified in step (b) and a third pharmacophoric group, and wherein the remainder of R1, R3, R4, and R5 are non-pharmacophoric groups,
• such that the/each component of the first and second library is a compound of formula 1:
• Z is sulphur, oxygen, NH, NRA or hydrogen, in the case where Z is hydrogen then R1 is not present;
• RA is selected from the set defined for R1, R3, R4, and R5, or wherein Z and R1 together form a heterocycle;
• X is oxygen or nitrogen;
• R2 is a pharmacophoric group independently selected from the group consisting of C2 to C20 alkyl, C2 to C20 acyl, wherein said acyl is not acetyl;
• C2 to C20 alkenyl, C2 to C20 alkynyl, C2 to C20 heteroalkyl, C5 to C20 aryl, C5 to C20 heteroaryl, C5 to C20 arylalkyl and C5 to C20 heteroarylalkyl, which is optionally substituted, and can be branched or linear, or wherein NH and R2 combine to form a heterocycle;
• R1, R3, R4, and R5 are each independently selected from
• (i) non-pharmacophoric groups consisting of H, methyl and acetyl, and
• (ii) pharmacophoric groups independently selected from the group consisting of C2 to C20 alkyl, C2 to C20 acyl, wherein said acyl is not acetyl;
• C2 to C20 alkenyl, C2 to C20 alkynyl, C2 to C20 heteroalkyl;
• C5 to C20 aryl, C5 to C20 heteroaryl, C5 to C20 arylalkyl and C5 to C20 heteroarylalkyl, which is optionally substituted, and can be branched or linear, or wherein X and the corresponding R moiety, R3 to R5 respectively, combine to form a heterocycle.