1Department of Pharmaceutical Chemistry, Gurunanak College of Pharmacy, Nagpur, Maharashtra-440026, India
2Department of Data Science, Ramdeobaba University, Nagpur, Maharashtra-440013, India
3Department of Pharmacology, Gurunanak College of Pharmacy, Nagpur, Maharashtra-440026, India
4*Faculty of Pharmacy, Dr. C.V. Raman Institute of Pharmacy, Dr. C.V. Raman University, Kota, Bilaspur, Chhattisgarh-495113, India
5Department of Quality Assurance, Gurunanak College of Pharmacy, Nagpur, Maharashtra-440026, India
Nowadays there are so many types of diseases that are causing to human and animal health. This disease or disorder makes human health very severe, lethal, and life-threatening to survive. Several troubling diseases make the body's condition abnormal or cause a disturbance in the function and structure of the body or organ systems. It states that the person is ill or sick which is characterized by the manifestation or symptoms which may be seen internally or externally. To overcome these manifestations there are some specific substances or molecules are used. These substances are called drugs and can cure various diseases or disorders. A drug compound may be natural or synthetic obtained from a plant, animal sources, or any chemical compound which can treat and prevent diseases. There are some modern methods to produce a drug. To discover a new drug is called a drug discovery which saves time and trial discovery takes a lot of time for selecting, researching, optimization, of a drug. These drugs are beneficial and lifesavers. Several days or years pass or are required to discover a new molecule or to design a single molecule. Drug discovery is the research of new compounds and new moiety. Drug design is a very convenient and time-saving method for drug discovery. Drug design is a type of invention and it is a computational method and it is an important part of drug discovery. There are two techniques of drug design ligand-based and receptor-based drug design. Computer-aided drug design is a computational method in which there is a prediction of the structure and molecules by a mathematical equation. In LBDD QSAR & Pharmacophore model is there and in RBDD Molecular Docking & De Novo Design is present. In QSAR there are of the efficacy of a biologically active compound. It is a mathematical relationship that identifies and quantifies the molecule. These methods can be applied and then virtual screening. Then the identification of the molecule binds to the binding site or receptor and gives its action.
Keywords: Drug Design; Pharmacophore modeling; QSAR; Molecular Docking; Virtual Screening.
How to cite this article: Manapure SR, Kolte S, Pande VB, Chandel SS, Khanke P, Kohale K. A Novel Perspective in Drug Design and Drug Discovery (4D) With Computer-Aided Drug Design (CADD): A Review. Int J Drug Deliv Technol. 2026;16(2): 133-145; DOI: 10.25258/ijddt.16.2.16
Source of support: Nil.
Conflict of interest: None