Analogue-based drug discovery: Contributions to medicinal chemistry principles and drug design strategies. Microtubule stabilizers as a case in point (Special Topic Article)

2012 ◽  
Vol 84 (7) ◽  
pp. 1479-1542 ◽  
Author(s):  
Mohammad H. El-Dakdouki ◽  
Paul W. Erhardt
Keyword(s):  
Drug Discovery ◽  
Drug Design ◽  
Medicinal Chemistry ◽  
Drug Distribution ◽  
Therapeutic Agents ◽  
Special Topic ◽  
Design Strategies ◽  
Basic Principles ◽  
Research Activities ◽  
Alternative Drug

The benefits of utilizing marketed drugs as starting points to discover new therapeutic agents have been well documented within the IUPAC series of books that bear the title Analogue-based Drug Discovery (ABDD). Not as clearly demonstrated, however, is that ABDD also contributes to the elaboration of new basic principles and alternative drug design strategies that are useful to the field of medicinal chemistry in general. After reviewing the ABDD programs that have evolved around the area of microtubule-stabilizing chemo-therapeutic agents, the present article delineates the associated research activities that additionally contributed to general strategies that can be useful for prodrug design, identifying pharmacophores, circumventing multidrug resistance (MDR), and achieving targeted drug distribution.

scholarly journals The Impact of Microwave Irradiation Reaction in Medicinal Chemistry: A Review

2021 ◽  
Vol 37 (1) ◽  
pp. 01-24
Author(s):  
Ashutosh Pal ◽  
Krishnanka Shekhar Gayen
Keyword(s):  
Drug Discovery ◽  
Reaction Time ◽  
Microwave Irradiation ◽  
Medicinal Chemistry ◽  
Rapid Evolution ◽  
Therapeutic Agents ◽  
Conventional Heating ◽  
Compound Libraries ◽  
The Impact ◽  
Better Than

The present review collects an update of the reactions in the area of medicinal chemistry using microwave irradiation. This review come up with an overview of most salient reactions performed under microwave irradiation in the field of drug discovery. Moreover, chemists are preferring to use this reaction rapidly in the academic as well as pharmaceutical laboratory during their drug discovery and making library of compounds. This reaction is much greener using less amount and readily recyclable solvents or sometimes reaction process without solvents and product become much cleaner, often yields are better than the conventional heating. Microwave irradiation is now very robust instrument used in company in the field of drug discovery, due to reduce the reaction time from hour to minute or even second and efficiently creation of compound libraries through combinatorial methodology associated with drug discovery so that new therapeutic agents bring to the market quicker. Hopefully, we will observe in the future the use of microwave irradiation drugs for the patients and this technology will utilize increase in number extensively in the field of medicinal chemistry. As this is an exceedingly rapid evolution area, this review offers significant expertise to the interested readers.

scholarly journals Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics

Molecules ◽  
2021 ◽  
Vol 26 (24) ◽  
pp. 7500
Author(s):  
Marco Tutone ◽  
Anna Maria Almerico
Keyword(s):  
Drug Discovery ◽  
Drug Design ◽  
Medicinal Chemistry ◽  
Computational Approaches

To date, computational approaches have been recognized as a key component in drug design and discovery workflows [...]

scholarly journals A Review on Recent Advances in Nitrogen-Containing Molecules and Their Biological Applications

Molecules ◽  
2020 ◽  
Vol 25 (8) ◽  
pp. 1909 ◽  
Author(s):  
Nagaraju Kerru ◽  
Lalitha Gummidi ◽  
Suresh Maddila ◽  
Kranthi Kumar Gangu ◽  
Sreekantha B. Jonnalagadda
Keyword(s):  
Drug Design ◽  
Medicinal Chemistry ◽  
Biological Activities ◽  
Therapeutic Agents ◽  
Biological Applications ◽  
Valuable Source ◽  
The Past ◽  
Recent Advances ◽  
Physiological Properties ◽  
One Year

The analogs of nitrogen-based heterocycles occupy an exclusive position as a valuable source of therapeutic agents in medicinal chemistry. More than 75% of drugs approved by the FDA and currently available in the market are nitrogen-containing heterocyclic moieties. In the forthcoming decade, a much greater share of new nitrogen-based pharmaceuticals is anticipated. Many new nitrogen-based heterocycles have been designed. The number of novel N-heterocyclic moieties with significant physiological properties and promising applications in medicinal chemistry is ever-growing. In this review, we consolidate the recent advances on novel nitrogen-containing heterocycles and their distinct biological activities, reported over the past one year (2019 to early 2020). This review highlights the trends in the use of nitrogen-based moieties in drug design and the development of different potent and competent candidates against various diseases.

scholarly journals COMPUTER AIDED DRUG DESIGN: A MINI-REVIEW

2020 ◽  
Vol 9 (5) ◽  
pp. 2584-2591
Author(s):  
Aateka Y Barrawaz
Keyword(s):  
Drug Discovery ◽  
Drug Design ◽  
Development Process ◽  
De Novo ◽  
Computer Aided Drug Design ◽  
Drug Discovery And Development ◽  
Research Activities ◽  
Complex Process ◽  
Computer Aided ◽  
New Chemical Entities

New drug discovery and development process is considered much complex process which is time consuming and resources accommodating too. So computer aided drug design are being broadly used to enhance the effectiveness of the drug discovery and development process which ultimately saves time and resources. Various approaches to Computer aided drug design are evaluated to shows potential techniques in accordance with their needs. Two approaches are considered to designing of drug first one is structure-based and second one is Ligand based drug designs. In this review, we are discussing about highly effective and powerful techniques for drug discovery and development as well as various methods of Computer aided drug design like molecular docking at virtual screening for lead identification, QSAR, molecular homology, de-novo design, molecular modeling and optimization. It also elaborate about different software used in Computer aided drug design, different application of Computer aided drug design etc. Major objectives of Computer aided drug design are to commence collaborative foundation of research activities and to discover new chemical entities for novel therapeutics drugs

scholarly journals Recent advances in synthetic approaches for medicinal chemistry of C-nucleosides

2018 ◽  
Vol 14 ◽  
pp. 772-785 ◽  
Author(s):  
Kartik Temburnikar ◽  
Katherine L Seley-Radtke
Keyword(s):  
Drug Discovery ◽  
Drug Design ◽  
Nucleophilic Substitution ◽  
Medicinal Chemistry ◽  
Structural Diversity ◽  
Synthetic Analogues ◽  
Structural Modifications ◽  
Modular Synthesis ◽  
Recent Advances ◽  
Synthetic Approaches

C-nucleosides have intrigued biologists and medicinal chemists since their discovery in 1950's. In that regard, C-nucleosides and their synthetic analogues have resulted in promising leads in drug design. Concurrently, advances in chemical syntheses have contributed to structural diversity and drug discovery efforts. Convergent and modular approaches to synthesis have garnered much attention in this regard. Among them nucleophilic substitution at C1' has seen wide applications providing flexibility in synthesis, good yields, the ability to maneuver stereochemistry as well as to incorporate structural modifications. In this review, we describe recent reports on the modular synthesis of C-nucleosides with a focus on D-ribonolactone and sugar modifications that have resulted in potent lead molecules.

scholarly journals Computer-Aided Drug Design Applied to Marine Drug Discovery: Meridianins as Alzheimer’s Disease Therapeutic Agents

Marine Drugs ◽  
2017 ◽  
Vol 15 (12) ◽  
pp. 366 ◽  
Author(s):  
Laura Llorach-Pares ◽  
Alfons Nonell-Canals ◽  
Melchor Sanchez-Martinez ◽  
Conxita Avila
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Drug Discovery ◽  
Drug Design ◽  
Therapeutic Agents ◽  
Computer Aided Drug Design ◽  
Computer Aided

Structure-Based Drug Design Strategies in Medicinal Chemistry

2009 ◽  
Vol 9 (9) ◽  
pp. 771-790 ◽  
Author(s):  
Adriano Andricopulo ◽  
Lívia Salum ◽  
Donald Abraham
Keyword(s):  
Drug Design ◽  
Medicinal Chemistry ◽  
Design Strategies ◽  
Structure Based Drug Design
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