A lead compound (i.e.

the "leading" compound, not lead metal) in drug discovery is a

chemical compound that has pharmacological or biological activity and whose chemical
structure is used as a starting point for chemical modifications in order to improve potency,
selectivity, or pharmacokinetic parameters.

Lead compounds are often found in high-throughput screenings ("hits") or are secondary
metabolites from natural sources.

Newly invented pharmacologically active moieties may have poor druglikeness and may
require chemical modification to become drug-like enough to be tested biologically or
clinically.

High-throughput screening (HTS) is a method for scientific experimentation especially used in drug
discovery and relevant to the fields of biology and chemistry. Using robotics, data processing and
control software, liquid handling devices, and sensitive detectors, High-Throughput Screening or HTS
allows a researcher to quickly conduct millions of biochemical, genetic or pharmacological tests.
Through this process one can rapidly identify active compounds, antibodies or genes which
modulate a particular biomolecular pathway. The results of these experiments provide starting
points for drug design and for understanding the interaction or role of a particular biochemical
process in biology.

Drug development is a blanket term used to define the entire process of bringing a new drug or
device to the market. It includes drug discovery / product development, pre-clinical research
(microorganisms/animals) and clinical trials (on humans). Few people still refer to the drug
development as mere preclinical development.

Drug design, also sometimes referred to as rational drug design, is the inventive process of
finding new medications based on the knowledge of the biological target.[1] The drug is most
commonly an organic small molecule which activates or inhibits the function of a
biomolecule such as a protein which in turn results in a therapeutic benefit to the patient. In
the most basic sense, drug design involves design of small molecules that are complementary
in shape and charge to the biomolecular target to which they interact and therefore will bind
to it. Drug design frequently but not necessarily relies on computer modeling techniques.[2]
This type of modeling is often referred to as computer-aided drug design.

The phrase "drug design" is to some extent a misnomer. What is really meant by drug design
is ligand design. Modeling techniques for prediction of binding affinity are reasonably
successful. However there are many other properties such as bioavailability, metabolic half
life, lack of side effects, etc. that first must be optimized before a ligand can become a safe
and efficacious drug. These other characteristics are often difficult to optimize using rational
drug design techniques.

In the fields of medicine, biotechnology and pharmacology, drug discovery is the process by
which drugs are discovered and/or designed.

In the past most drugs have been discovered either by identifying the active ingredient from
traditional remedies or by serendipitous discovery. A new approach has been to understand
how disease and infection are controlled at the molecular and physiological level and to target
specific entities based on this knowledge.
The process of drug discovery involves the identification of candidates, synthesis,
characterization, screening, and assays for therapeutic efficacy. Once a compound has shown
its value in these tests, it will begin the process of drug development prior to clinical trials.

Despite advances in technology and understanding of biological systems, drug discovery is

still a lengthy, "expensive, difficult, and inefficient process" with low rate of new therapeutic
discovery.[1] Currently, the research and development cost of each new molecular entity
(NME) is approximately US$1.8 billion.[2]

Information on the human genome, its sequence and what it encodes has been hailed as a
potential windfall for drug discovery, promising to virtually eliminate the bottleneck in
therapeutic targets that has been one limiting factor on the rate of therapeutic discovery.[citation
needed]
However, data indicates that "new targets" as opposed to "established targets" are more
prone to drug discovery project failure in general[citation needed] This data corroborates some
thinking underlying a pharmaceutical industry trend beginning at the turn of the twenty-first
century and continuing today which finds more risk aversion in target selection among multi-
national pharmaceutical companies.