Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P14324
UPID:
FPPS_HUMAN
Alternative names:
(2E,6E)-farnesyl diphosphate synthase; Dimethylallyltranstransferase; Farnesyl diphosphate synthase; Geranyltranstransferase
Alternative UPACC:
P14324; D3DV91; E9PCI9; Q96G29
Background:
Farnesyl pyrophosphate synthase, also known as (2E,6E)-farnesyl diphosphate synthase, plays a pivotal role in isoprenoid biosynthesis. This enzyme catalyzes the formation of farnesyl diphosphate (FPP), a precursor for vital metabolites including sterols, dolichols, carotenoids, and ubiquinones, essential for cellular function and integrity. FPP is also a substrate for protein modifications such as farnesylation and geranylgeranylation, crucial for protein localization and function.
Therapeutic significance:
The enzyme's link to Porokeratosis 9, a disorder characterized by abnormal skin keratinization leading to neoplasms, underscores its therapeutic significance. Targeting Farnesyl pyrophosphate synthase could offer novel treatment avenues for skin disorders and potentially inhibit the progression to cutaneous neoplasms.