Medicinal Chemistry and Computer Aided Drug Design

Analytical ChemistryIn the pharmaceutical industry, analytical chemists are entangled within the entire process, from drug discovery to market, studying the physical or chemical properties of drug substances and formulations to defining the quality and stability of drug products to make sure the safety of the drug. The review highlights a diversity of analytical techniques like titrimetrie, chromatographic, spectroscopic, electrophoretic, and electrochemical and their equivalent methods that are applied within the analysis of pharmaceutical.

Applied Medicinal Chemistry includes synthetic  chemistry and aspects of natural products and computational chemistry in near combination with chemical biology, enzymology and structural biology, together aiming at the invention and development of latest therapeutic agents.

Mass spectrometry (MS) is an analytical technique that's used to measure the mass-to-charge ratio of ions A mass spectrum is a plot of the ion signal as a function of the mass-to-charge ratio. These spectra are used to determine the basic or isotopic signature of a sample, the masses of particles and of molecules, and to elucidate the chemical identity or structure of molecules and other chemical compounds. There are four stages in a mass spectrometer which we need to study, these are – ionization, acceleration, deflection, and detection.  Mass spectrometry is employed in many diverse fields and is applied to pure samples also as complex mixtures.

Chromatography is a procedure for separating components of a mixture. The various components of the mixture travel through the stationary phase at different speeds, causing them to separate from one another. By using chromatographic technique, we can Precise separation, analyses, and purification. there are two phases in chromatography 1) Stationary phase and 2 mobile phase. They are 5 different types of chromatographic techniques 1. Column Chromatography 2. Paper Chromatography 3. Thin Layer Chromatography 4. Gas-Liquid Chromatography (GLC) or Simply Gas Chromatography (GC) 5. High Performance Liquid Chromatography

Bioorganic chemistry is a widely growing science that combines organic chemistry and biochemistry. It’s the branch of life science that deals with the study of biological processes using chemical methods. It represents the meeting of ,biochemistry in its broadest sense, with organic chemistry in an effort to explain and control complex biological systems at the molecular level Protein and enzyme function are samples of these processes. sometimes biochemistry is employed interchangeably for bioorganic chemistry (i.e., bioorganic chemistry aims at understanding biological aspects using chemistry). Bioorganic chemistry attempts to expand organic-chemical research (structure, synthesis, and kinetics) towards biology. Bioorganic chemistry seeks not only to know and control cellular and biochemical processes, but also mimic them.

Environmental catalysis refers to catalytic technologies for reducing emission of environmentally unacceptable compounds. Finally, the reduction of the environmental impact within the use or disposal of catalysts must even be cited as a part of the objectives of environmental catalysis. Heterogeneous catalysts are efficiently used to reduce nitrogen oxides (NOx) emissions from stationary sources (power plants, boiler), to process oil in obtaining cleaner fuels having low Sulphur and nitrogen content, to destroy waste, pesticides, dioxane and furane, to regulate the Volatile Organic Compounds (VOCs) Green chemistry is that the design of chemical products and processes that reduce or eliminate the utilization or generation of hazardous substances. Green chemistry applies across the life cycle of a chemical product, including its design, manufacture, use, and ultimate disposal Plants and animals suffer less harm from toxic chemicals within the environment. Lower potential for global warming, ozone depletion, and smog formation. Less chemical disruption of ecosystems. Less use of landfills, especially hazardous waste landfills

NMR Spectroscopy plays a crucial role in the discovery of drug and its development process. NMR screening experiments are very effective and versatile in discovering high-affinity ligands for biologically relevant macromolecules, elucidating ligand-binding sites, identifying small molecules with wide ranges of binding affinity and thus proving to be a valuable and robust tool in the structure-based drug design.it is very efficient in drug discovery and development as it can shed light on the molecular structure of the biomolecules, explicate and verify the structure of the drugs, and provide structural information on the interaction of the biomolecules (target) with small molecule compounds. thus, NMR spectroscopy proves to be an excellent tool in pharmaceutical research.

Ethnopharmacy is the study of how various medicines are viewed and put to use in a society. Although ethnopharmacy focus on traditional or folk medicines used in the society, it also looks at more modern pharmaceutical uses. It is the study of origin of pharmaceuticals, whether they are from naturally happening or man-made elements. They also study how pharmaceuticals are directed to people in the society and how productive the pharmaceuticals are at contending various medical conditions.

Molecular pharmacology deals with the understanding of the molecular basis for the actions of drugs and the characteristics of interactions between the drug molecules and those of the substrates of drug action in the cell. Whereas cellular pharmacology deals with the study of drug effects on various cell functions. Molecular pharmacology includes molecular signalling, chemical biology, structure of drug-receptor complex, system analysis of drug action and drug transport.

In chemistry, chemical synthesis (or combination) is that the artificial execution of useful chemical reactions to get one or several products. this happens by physical and chemical manipulations usually involving one or more reactions. In modern laboratory uses, the method is reproducible and reliable. A chemical synthesis involves one or more compounds (known as reagents or reactant) which will undergo a change when subjected to certain conditions. Various reaction types are often applied to formulate a desired product. these needs mixing the compounds in a reaction vessel, like a chemical reactor or an easy round-bottom flask. Many reactions require some sort of work-up or purification procedure to isolate the ultimate product. Catalysis is a term describing a process during which the rate and/or the result of the reaction is influenced by the presence of a substance (the catalyst) that's not consumed during the reaction which is subsequently removed if it's not to constitute as an impurity within the final product.

Pharmacokinetics which is abbreviated as PK, is a branch of pharmacology dedicated to figure out the fate of medicine administered to a living organism. It is defined as study of the time course of drug absorption, distribution, metabolism, and excretion. Clinical pharmacokinetics is the application of pharmacokinetic principles to the safe and effective therapeutic management of drugs in a private patient. it can be used to study the onset, duration, and intensity of the effect of a drug.

Pharmacogenomics is the study of the role of the genome in drug response. Its name (pharmaco- + genomics) reflects its combination of pharmacology and genomics. It analyzes how the genetic makeup of individual affects their response to drugs. pharmacogenomics is typically used interchangeably with pharmacogenetics. pharmacogenetics focuses on single drug-gene interactions, whereas pharmacogenomics incorporates genomics and epigenetics while handling the results of multiple genes on drug response. Pharmacogenomics aims to develop rational means to optimize drug therapy, with regard to the patients' genotype, to form sure maximum efficiency with minimal adverse effects.

Pharmacodynamics is the study of the biochemical, physiologic, and molecular effects of drugs on the body and involves receptor binding (including receptor sensitivity), post receptor effects, and chemical interactions. the results can include those manifested within animals, microorganisms, or combinations of organisms.it is sometimes described as what a drug does to the body Pharmacodynamics. pharmacodynamics is a branch in pharmacology.

In medicinal chemistry, bio isosteres are chemical substituents or groups with similar physical or chemical properties which produce largely similar biological properties to alternative chemical compound. In drug design, the purpose of exchanging one bio isostere for another is to increase the desired biological or physical properties of a compound without making substantial deviations in chemical structure. The main research of this term and its techniques are related to pharmaceutical sciences. Bio isosterism is used to condense toxicity, change bioavailability, or alter the activity of the lead compound, and may modify the metabolism of the lead.

Antibiotics are medicines that fight against bacterial infections in people and animals. Antibiotics are considered as anti-bacterial. It is the utmost important form of antibacterial agent fighting against bacterial infections, and antibiotic medications are extensively used in the treatment and inhibition of such infections. A restricted number of antibiotics also hold antiprotozoal activity. The most commonly used antibiotics are penicillin, ampicillin, cephalexin, ciprofloxacin, azithromycin, erythromycin etc. Antibiotics are often used to treat protozoan infections. (Metronidazole is effective against a sum of parasitic diseases). Antibiotics may either kill or inhibit the growth of bacteria.

Drug development is the method of carrying a new drug molecule into clinical practice. In its widest description this includes all steps from the basic research procedure of finding a suitable molecular target to supporting the marketable launch of the drug. It contains four different stages in which each stage has its own significance in stage 1 discovery and development takes place in  preclinical research, inn stage3 clinical development in stage 4 FDA Review. The eventual goal of drug development is to bring a novel compound with verified therapeutic effect to the market.

Immunosuppressant drugs are used to treat autoimmune diseases. Through an autoimmune disease, the immune system attacks one’s own body tissues. Because immunosuppressant drugs deteriorate the immune system, they overturn this reaction. This helps diminish the influence of the autoimmune disease on the body. The top three auto immune drugs are Xelijanz (tofacitinib), Olumiant (baricitinib), Cosentyx (seukinumab

Medicinal chemists play an important role in driving the drug discovery project by depending on their knowledge and expertise in modern organic chemistry, biology of the disease, invitro and in vivo pharmacological screening, and pharmacokinetic characteristics, with the goal of maximizing efficacy while minimizing size. Medicinal chemistry helps in discovering the drug through the process of selection and synthesis of compounds that establish structure–activity relationships and achieve efficacy and safety in preclinical animal testing.

Biological machines are also known as molecular machines which are defined as the molecular component that produces quasi-mechanical movements (output) in response to specific stimuli (input). In cellular biology, macromolecular machine regularly executes tasks crucial for life, such  DNA replication and ATP synthesis. In general, molecular machines can be divided into two wide categories. I)artificial and biological. Artificial molecular machines represent the molecules that are artificially designed and synthesized whereas biological molecular machines ae usually found in nature and have advanced into them after abiogenesis on earth

Chemical reactions can be assembled into classes, but defining what class a specific reaction belongs to is not insignificant on a large-scale. A new study demonstrates data-driven automatic classification of chemical reactions with methods borrowed from linguistic communication processing. A chemical reaction is a process in which reactants are transformed into one or more products.