What is the importance of heterocyclic compounds?
Heterocyclic compunds have a wide range of application. They are predominantly used as pharmaceuticals, as agrochemicals and as veterinary products. They also find applications as sanitizers, developers, antioxidants, as corrosion inhibitors, as copolymers, dye stuff.
Why is computer aided drug design important?
Computer-Aided Drug Design (CADD) CADD helps scientists in minimizing the synthetic and biological testing efforts by focussing only on the most promising compounds. Besides explaining the molecular basis of therapeutic activity, it also predicts possible derivatives that would improve activity.
What roles are played by computers in the drug discovery process?
Structure-based drug design (SBDD)
- Binding site prediction or identification.
- Docking and scoring.
- Flexibility and solvent effects.
How computers are used in drug design?
Computer-aided drug design uses computational approaches to discover, develop, and analyze drugs and similar biologically active molecules. The ligand-based computer-aided drug discovery (LB-CADD) approach involves the analysis of ligands known to interact with a target of interest.
Why are heterocyclic compounds important as active compounds in biological applications?
According to statistics, more than 85% of all biologically-active chemical entities contain a heterocycle. Thus, heterocycles have critical importance for medicinal chemists, because using them, it is possible to expand the available drug-like chemical space and drive more effective drug discovery programs.
What do you understand by heterocyclic compounds?
heterocyclic compound, also called heterocycle, any of a major class of organic chemical compounds characterized by the fact that some or all of the atoms in their molecules are joined in rings containing at least one atom of an element other than carbon (C).
How are computer helpful in designing new drugs and managing health issues?
In the biomedical arena, computeraided or in silico design is being utilised to accelerate and facilitate hit identification, hit-to-lead selection, optimise the pharmacokinetic/ pharmacodynamics profile, anticipate binding modes, structural analysis, and to avoid safety issues [38] .
What is the role of computers in new drug design?
Not confined to drug designing, but computers also helps scientists in predicting the structure and functions of newly identified sequences of DNA, RNA and proteins of unknown functions which can be used in drug designing subsequently.
What is role of computer technology in clinical pharmacy?
Computers in pharmacy are used for the information of drug data, records and files, drug management (creating, modifying, adding and deleting data in patient files to generate reports), business details.
What are heterocyclic compounds explain their nomenclature and classification?
Heterocyclic compounds are primarily classified as saturated and unsaturated. The saturated heterocyclic compounds behave like the acyclic derivatives with modified steric properties. Piperidine and tetrehydrofuran are the conventional amines and ethers of this category.
What are heterocyclic compounds and its classification?
important industrial and pharmaceutical compounds Page 3 4.2 INTRODUCTION Heterocyclic compound is the class of cyclic organic compounds those having at least one hetero atom (i.e. atom other than carbon) in the cyclic ring system.
How are heterocyclic compounds used in everyday life?
Heterocyclic compounds are of very much interest in our daily life. Heterocyclic compounds have one or more hetero atoms in their structure. They may be cyclic or non cyclic in nature. Heterocyclic compunds have a wide range of application. They are predominantly used as pharmaceuticals, as agrochemicals and as veterinary products.
Can a heterocyclic compound be harmful to humans?
Heterocycles are often classified as being π-excessive or π-deficient (351) or in another approach as having hard or soft donor atoms according to the hard and soft acids and bases (HSAB) concept (352). Harmful if swallowed. MAY BE ABSORBED! Toxic in contact with skin. Causes skin burns.
How are heterocycles used in the treatment of infectious diseases?
Due to their biological activities heterocycles are employed in the treatment of infectious diseases. Various heterocycles prepared in laboratories are successfully used as clinical agents. Leonid I. Belen’kii, Yulia B. Evdokimenkova, in Advances in Heterocyclic Chemistry, 2018
How is heterocyclic chemistry undergoing a dramatic change?
Heterocyclic chemistry is undergoing a dramatic change with the coming of organometallic reactions for the construction of heterocycles and for carbosubstitution. The opportunities offered for carbosubstitution in all types of heterocyclic systems is especially important for future work and further studies.