Synthetic Identification of Novel Benzamide Analogs Inhibiting Acetylcholinesterase by 2D QSAR Analysis and Insilico Techniques

Bhuvaneswari, S (2021) Synthetic Identification of Novel Benzamide Analogs Inhibiting Acetylcholinesterase by 2D QSAR Analysis and Insilico Techniques. Masters thesis, C. L. Baid Metha College of Pharmacy, Chennai.


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Medicinal chemistry is defined as an interdependent mature science that is a combination of applied (medicine) and basic (chemistry) sciences. It encompasses the discovery, development, identification, and interpretation of the mode of action of biologically active compounds at the molecular level. Discovery is the identification of novel active chemical compounds, often called "hits", which are typically found by assay of compounds for a desired biological activity. The “hit” compound is improved for its pharmacologic, pharmaco dynamic and pharmacokinetic properties by chemical or functional group modifications, transforming it into a lead compound. A lead compound should have a known structure and a known mechanism of action. An optimization step, which deals with the improvement of the lead structures. The optimization process takes primarily in to account the increase in potency, selectivity and toxicity. Its characteristics are the establishment of the molecular mode of action. However, an assessment of the pharmacokinetic parameters such as absorption, distribution, metabolism, excretion and oral bioavailability is almost systematically practiced at an early stage of the development in order to eliminate unsatisfactory candidates. A development step, is the continuation of the improvement of the pharmacokinetic properties and the fine tuning of the pharmaceutical properties (chemical formulation) of the active substances in order to render them suitable for clinical use. This chemical formulation process can consist in the preparation of better absorbed compounds, of sustained release formulations, and of water soluble derivatives or in the elimination of properties related to patient’s compliance. Molecular modeling, or computational chemistry, has become a well-established part of drug development. In particular, medicinal chemistry in its most common practice-focusing on small organic molecules encompasses synthetic organic chemistry and computational chemistry in close combination with chemical biology, enzymology and structural biology, together aiming at the discovery and development of new therapeutic agents.

Item Type: Thesis (Masters)
Additional Information: 261915002
Uncontrolled Keywords: Synthetic Identification, Novel Benzamide Analogs, Acetylcholinesterase, 2D QSAR Analysis, Insilico Techniques.
Subjects: PHARMACY > Pharmaceutical Chemistry
Depositing User: Subramani R
Date Deposited: 02 Nov 2022 16:47
Last Modified: 02 Nov 2022 18:03

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