- "Drug design, often referred to as rational drug design or simply rational design, is the inventive process of finding new medications based on the knowledge of a biological target."
Structure-based drug design, high-throughput screening (HTS), and combinatorial chemistry in drug development.
Organic Chemistry: The study of the structure, properties, and reactions of organic compounds, which involve carbon and hydrogen atoms.
Biochemistry: The study of chemical processes that occur within living organisms, including enzymes, metabolism, and DNA.
Pharmacology: The study of drugs and their effects on the body, including how they are absorbed, distributed, metabolized, and excreted.
Toxicology: The study of the effects of chemicals on living organisms and the environment.
Pharmacokinetics: The study of how drugs are absorbed, distributed, metabolized, and excreted by the body.
Pharmacodynamics: The study of the biochemical and physiological effects of drugs on the body.
Molecular Modeling: The use of computer programs to simulate the behavior of molecules in order to design new drugs.
Drug Discovery: The process of identifying and developing new drugs through screening, lead optimization, and preclinical testing.
Drug Design: The process of designing new drugs based on their molecular structure, pharmacological properties, and therapeutic potential.
Drug Development: The process of conducting clinical trials and obtaining regulatory approval for new drugs.
Drug Delivery: The development of methods for delivering drugs to the body, including oral, injectable, and transdermal delivery.
Structural Biology: The study of the structures and functions of biological molecules, including proteins, nucleic acids, and carbohydrates.
Medicinal Chemistry: The interdisciplinary field of chemistry and pharmacology that deals with the design, development, and synthesis of new drugs.
Drug Targeting: The use of drugs to selectively target specific cells, tissues, or organs in the body.
Drug Resistance: The ability of organisms to resist the effects of drugs, which can lead to the development of new resistance mechanisms and the need for new drugs.
Rational drug design: N- This is a type of drug designing in which drugs are purposely designed by using knowledge of a biological target.
Virtual Screening: It is an in-silico technique that involves screening of large libraries of compounds and predicting their binding affinity to a target.
Fragment-based drug design (FBDD): FBDD is a type of drug design that utilizes small fragments of molecules to identify the structure-activity relationships.
Combinatorial Chemistry: In this approach, large libraries of compounds are synthesized using a combination of diverse building blocks.
De novo design: It involves the generation of new molecules with desired physicochemical properties in a step-wise manner.
Structure-based drug design: This method utilizes knowledge of the 3D structure of a drug target to design new compounds that interact with it.
Ligand-based drug design: It involves the identification of molecules with similar structural and functional properties to a reference compound.
Natural product-based drug design: Natural products are a rich source of bioactive compounds, and this strategy involves the modification of natural compounds to enhance their activity or decrease toxicity.
Peptide-based drug design: This involves the synthesis of peptides with desired bioactivity for therapeutic purposes.
Antibody-based drug design: Antibodies are proteins that can be engineered to bind specifically to a target protein, making them useful for drug development.
- "The drug is most commonly an organic small molecule that activates or inhibits the function of a biomolecule such as a protein."
- "In the most basic sense, drug design involves the design of molecules that are complementary in shape and charge to the biomolecular target with which they interact and therefore will bind to it."
- "Drug design frequently but not necessarily relies on computer modeling techniques."
- "Drug design that relies on the knowledge of the three-dimensional structure of the biomolecular target is known as structure-based drug design."
- "In addition to small molecules, biopharmaceuticals including peptides and especially therapeutic antibodies are an increasingly important class of drugs."
- "A more accurate term is ligand design (i.e., design of a molecule that will bind tightly to its target)."
- "Although design techniques for prediction of binding affinity are reasonably successful, there are many other properties, such as bioavailability, metabolic half-life, side effects, etc., that first must be optimized before a ligand can become a safe and efficacious drug."
- "More attention is being focused early in the drug design process on selecting candidate drugs whose physicochemical properties are predicted to result in fewer complications during development and hence more likely to lead to an approved, marketed drug."
- "Furthermore, in vitro experiments complemented with computation methods are increasingly used in early drug discovery to select compounds with more favorable ADME (absorption, distribution, metabolism, and excretion) and toxicological profiles."