scholarly journals Partitioning Pattern of Natural Products Based on Molecular Properties Descriptors Representing Drug-Likeness

Symmetry ◽  
2021 ◽  
Vol 13 (4) ◽  
pp. 546
Author(s):  
Miroslava Nedyalkova ◽  
Vasil Simeonov
Keyword(s):  
Natural Products ◽  
Drug Discovery ◽  
De Novo ◽  
Target Prediction ◽  
Natural Compounds ◽  
Discovery Process ◽  
Drug Discovery Process ◽  
Unique Source ◽  
The Times ◽  
Partitioning Pattern

A cheminformatics procedure for a partitioning model based on 135 natural compounds including Flavonoids, Saponins, Alkaloids, Terpenes and Triterpenes with drug-like features based on a descriptors pool was developed. The knowledge about the applicability of natural products as a unique source for the development of new candidates towards deadly infectious disease is a contemporary challenge for drug discovery. We propose a partitioning scheme for unveiling drug-likeness candidates with properties that are important for a prompt and efficient drug discovery process. In the present study, the vantage point is about the matching of descriptors to build the partitioning model applied to natural compounds with diversity in structures and complexity of action towards the severe diseases, as the actual SARS-CoV-2 virus. In the times of the de novo design techniques, such tools based on a chemometric and symmetrical effect by the implied descriptors represent another noticeable sign for the power and level of the descriptors applicability in drug discovery in establishing activity and target prediction pipeline for unknown drugs properties.

Biotechnological utilization of plant genetic resources for the production of phytopharmaceuticals

2005 ◽  
Vol 3 (2) ◽  
pp. 83-89 ◽  
Author(s):  
H. Rischer ◽  
K.-M. Oksman-Caldentey
Keyword(s):  
Tissue Culture ◽  
Natural Products ◽  
Drug Discovery ◽  
New Technology ◽  
Plant Genetic Resources ◽  
Chemical Diversity ◽  
Wild Plants ◽  
Discovery Process ◽  
Drug Discovery Process ◽  
Pharmaceutical Activity

Natural products from plants are still important sources for the development of drugs, despite their recent neglect in pharmaceutical discovery programmes. The rapidly dwindling number of species endangers the availability of these natural compounds, which are characterized by the immense chemical and functional diversity ultimately responsible for their pharmaceutical activity. Although many steps in the drug discovery process have been continuously modified during recent years, a common dilemma is still unresolved, i.e. the supply crisis for hits discovered in rare wild plants due to their inaccessibility or lack of reproducibility. New technology, combining tissue culture, functional genomics and metabolomics, shows promise to overcome these problems and even to supply a greater chemical diversity of compounds.

Updates on Managing Type 2 Diabetes Mellitus with Natural Products: Towards Antidiabetic Drug Development

2019 ◽  
Vol 25 (39) ◽  
pp. 5395-5431 ◽  
Author(s):  
Fahmida Alam ◽  
Md. Asiful Islam ◽  
Mohammad Amjad Kamal ◽  
Siew Hua Gan
Keyword(s):  
Diabetes Mellitus ◽  
Type 2 Diabetes ◽  
Natural Products ◽  
Drug Discovery ◽  
Drug Development ◽  
Discovery Process ◽  
Drug Discovery Process

Over the years, natural products have shown success as antidiabetics in in vitro, in vivo studies and clinical trials. Because natural product-derived drugs are more affordable and effective with fewer side-effects compared to conventional therapies, pharmaceutical research is increasingly leaning towards the discovery of new antidiabetic drugs from natural products targeting pathways or components associated with type 2 diabetes mellitus (T2DM) pathophysiology. However, the drug discovery process is very lengthy and costly with significant challenges. Therefore, various techniques are currently being developed for the preclinical research phase of drug discovery with the aim of drug development with less time and efforts from natural products. In this review, we have provided an update on natural products including fruits, vegetables, spices, nuts, beverages and mushrooms with potential antidiabetic activities from in vivo, in vitro and clinical studies. Synergistic interactions between natural products and antidiabetic drugs, and potential antidiabetic active compounds from natural products are also documented to pave the way for combination treatment and new drug discovery, respectively. Additionally, a brief idea of the drug discovery process along with the challenges that arise during drug development from natural products and the methods to conquer those challenges are discussed to create a more convenient future drug discovery process.

Dereplication: racing to speed up the natural products discovery process

2015 ◽  
Vol 32 (6) ◽  
pp. 779-810 ◽  
Author(s):  
Susana P. Gaudêncio ◽  
Florbela Pereira
Keyword(s):  
Natural Products ◽  
Drug Discovery ◽  
Discovery Process ◽  
Drug Discovery Process ◽  
Major Bottleneck ◽  
Speed Up ◽  
Natural Products Discovery

To alleviate the dereplication holdup, which is a major bottleneck in natural products discovery, scientists have been conducting their research efforts to add tools to their “bag of tricks” aiming to achieve faster, more accurate and efficient ways to accelerate the pace of the drug discovery process.

ReAction!

2009 ◽  
Author(s):  
Mark A. Griep ◽  
Marjorie L. Mikasen
Keyword(s):  
Drug Discovery ◽  
Chemical Weapons ◽  
Trial And Error ◽  
Discovery Process ◽  
Drug Discovery Process ◽  
Special Effects ◽  
Invisible Man ◽  
Feature Films ◽  
The World ◽  
Chemical Companies

ReAction! gives a scientist's and artist's response to the dark and bright sides of chemistry found in 140 films, most of them contemporary Hollywood feature films but also a few documentaries, shorts, silents, and international films. Even though there are some examples of screen chemistry between the actors and of behind-the-scenes special effects, this book is really about the chemistry when it is part of the narrative. It is about the dualities of Dr. Jekyll vs. inventor chemists, the invisible man vs. forensic chemists, chemical weapons vs. classroom chemistry, chemical companies that knowingly pollute the environment vs. altruistic research chemists trying to make the world a better place to live, and, finally, about people who choose to experiment with mind-altering drugs vs. the drug discovery process. Little did Jekyll know when he brought the Hyde formula to his lips that his personality split would provide the central metaphor that would come to describe chemistry in the movies. This book explores the two movie faces of this supposedly neutral science. Watching films with chemical eyes, Dr. Jekyll is recast as a chemist engaged in psychopharmaceutical research but who becomes addicted to his own formula. He is balanced by the often wacky inventor chemists who make their discoveries by trial-and-error.

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