scholarly journals Bioactive Molecules Profile from Natural Compounds

2017 ◽  
Author(s):  
Adina‐Elena Segneanu ◽  
Silvia Maria Velciov ◽  
Sorin Olariu ◽  
Florentina Cziple ◽  
Daniel Damian ◽  
...  
Keyword(s):  
Natural Compounds ◽  
Bioactive Molecules

Natural Compounds and Drug Discovery: Can Cnidarian Venom Play a Role?

2019 ◽  
Vol 19 (2) ◽  
pp. 114-118
Author(s):  
Gian Luigi Mariottini ◽  
Irwin Darren Grice
Keyword(s):  
Biological Activity ◽  
Marine Species ◽  
Natural Compounds ◽  
Therapeutic Agents ◽  
Industrial Applications ◽  
Bioactive Molecules ◽  
Sea Anemones ◽  
Therapeutic Approaches ◽  
Ongoing Research ◽  
Biological Compounds

Natural compounds extracted from organisms and microorganisms are an important resource for the development of drugs and bioactive molecules. Many such compounds have made valuable contributions in diverse fields such as human health, pharmaceutics and industrial applications. Presently, however, research on investigating natural compounds from marine organisms is scarce. This is somewhat surprising considering that the marine environment makes a major contribution to Earth's ecosystems and consequently possesses a vast storehouse of diverse marine species. Interestingly, of the marine bioactive natural compounds identified to date, many are venoms, coming from Cnidarians (jellyfish, sea anemones, corals). Cnidarians are therefore particularly interesting marine species, producing important biological compounds that warrant further investigation for their development as possible therapeutic agents. From an experimental aspect, this review aims to emphasize and update the current scientific knowledge reported on selected biological activity (antiinflammatory, antimicrobial, antitumoral, anticoagulant, along with several less studied effects) of Cnidarian venoms/extracts, highlighting potential aspects for ongoing research towards their utilization in human therapeutic approaches.

scholarly journals Plant-Derived Anticancer Compounds as New Perspectives in Drug Discovery and Alternative Therapy

Molecules ◽  
2021 ◽  
Vol 26 (4) ◽  
pp. 1109
Author(s):  
Cristina Adriana Dehelean ◽  
Iasmina Marcovici ◽  
Codruta Soica ◽  
Marius Mioc ◽  
Dorina Coricovac ◽  
...  
Keyword(s):  
Targeted Delivery ◽  
Alternative Therapy ◽  
Natural Compounds ◽  
Mechanisms Of Action ◽  
Chemotherapeutic Agents ◽  
Biologically Active ◽  
Bioactive Molecules ◽  
Multi Drug Resistance ◽  
Chemopreventive Agents ◽  
Pharmaceutical Agents

Despite the recent advances in the field of chemically synthetized pharmaceutical agents, nature remains the main supplier of bioactive molecules. The research of natural products is a valuable approach for the discovery and development of novel biologically active compounds possessing unique structures and mechanisms of action. Although their use belongs to the traditional treatment regimes, plant-derived compounds still cover a large portion of the current-day pharmaceutical agents. Their medical importance is well recognized in the field of oncology, especially as an alternative to the limitations of conventional chemotherapy (severe side effects and inefficacy due to the occurrence of multi-drug resistance). This review offers a comprehensive perspective of the first blockbuster chemotherapeutic agents of natural origin’s (e.g. taxol, vincristine, doxorubicin) mechanism of action using 3D representation. In addition is portrayed the step-by-step evolution from preclinical to clinical evaluation of the most recently studied natural compounds with potent antitumor activity (e.g. resveratrol, curcumin, betulinic acid, etc.) in terms of anticancer mechanisms of action and the possible indications as chemotherapeutic or chemopreventive agents and sensitizers. Finally, this review describes several efficient platforms for the encapsulation and targeted delivery of natural compounds in cancer treatment

From Natural Compounds to Bioactive Molecules through NMR and In Silico Methodologies

2020 ◽  
Author(s):  
Simona De Vita ◽  
Stefania Terracciano ◽  
Ines Bruno ◽  
Maria Giovanna Chini
Keyword(s):  
In Silico ◽  
Natural Compounds ◽  
Bioactive Molecules

scholarly journals Role of Endoplasmic Reticulum Stress in the Anticancer Activity of Natural Compounds

2019 ◽  
Vol 20 (4) ◽  
pp. 961 ◽  
Author(s):  
Patrizia Limonta ◽  
Roberta Moretti ◽  
Monica Marzagalli ◽  
Fabrizio Fontana ◽  
Michela Raimondi ◽  
...  
Keyword(s):  
Endoplasmic Reticulum ◽  
Er Stress ◽  
Anticancer Activity ◽  
Molecular Mechanisms ◽  
Natural Compounds ◽  
New Drugs ◽  
Bioactive Molecules ◽  
Green Tea Polyphenols ◽  
Cell Death Pathways ◽  
Incidence And Mortality

Cancer represents a serious global health problem, and its incidence and mortality are rapidly growing worldwide. One of the main causes of the failure of an anticancer treatment is the development of drug resistance by cancer cells. Therefore, it is necessary to develop new drugs characterized by better pharmacological and toxicological profiles. Natural compounds can represent an optimal collection of bioactive molecules. Many natural compounds have been proven to possess anticancer effects in different types of tumors, but often the molecular mechanisms associated with their cytotoxicity are not completely understood. The endoplasmic reticulum (ER) is an organelle involved in multiple cellular processes. Alteration of ER homeostasis and its appropriate functioning originates a cascade of signaling events known as ER stress response or unfolded protein response (UPR). The UPR pathways involve three different sensors (protein kinase RNA(PKR)-like ER kinase (PERK), inositol requiring enzyme1α (IRE1) and activating transcription factor 6 (ATF6)) residing on the ER membranes. Although the main purpose of UPR is to restore this organelle’s homeostasis, a persistent UPR can trigger cell death pathways such as apoptosis. There is a growing body of evidence showing that ER stress may play a role in the cytotoxicity of many natural compounds. In this review we present an overview of different plant-derived natural compounds, such as curcumin, resveratrol, green tea polyphenols, tocotrienols, and garcinia derivates, that exert their anticancer activity via ER stress modulation in different human cancers.

scholarly journals Natural Compounds as Regulators of the Cancer Cell Metabolism

2013 ◽  
Vol 2013 ◽  
pp. 1-16 ◽  
Author(s):  
Claudia Cerella ◽  
Flavia Radogna ◽  
Mario Dicato ◽  
Marc Diederich
Keyword(s):  
Cancer Cell ◽  
Therapeutic Potential ◽  
Cell Metabolism ◽  
Physiological Mechanism ◽  
Natural Compounds ◽  
Bioactive Molecules ◽  
Anticancer Activities ◽  
Cancer Cell Metabolism ◽  
Altered Metabolism ◽  
And Migration

Even though altered metabolism is an “old” physiological mechanism, only recently its targeting became a therapeutically interesting strategy and by now it is considered an emerging hallmark of cancer. Nevertheless, a very poor number of compounds are under investigation as potential modulators of cell metabolism. Candidate agents should display selectivity of action towards cancer cells without side effects. This ideal favorable profile would perfectly overlap the requisites of new anticancer therapies and chemopreventive strategies as well. Nature represents a still largely unexplored source of bioactive molecules with a therapeutic potential. Many of these compounds have already been characterized for their multiple anticancer activities. Many of them are absorbed with the diet and therefore possess a known profile in terms of tolerability and bioavailability compared to newly synthetized chemical compounds. The discovery of important cross-talks between mediators of the most therapeutically targeted aberrancies in cancer (i.e., cell proliferation, survival, and migration) and the metabolic machinery allows to predict the possibility that many anticancer activities ascribed to a number of natural compounds may be due, in part, to their ability of modulating metabolic pathways. In this review, we attempt an overview of what is currently known about the potential of natural compounds as modulators of cancer cell metabolism.

scholarly journals Unravelling Cellular Mechanisms of Stem Cell Senescence: An Aid from Natural Bioactive Molecules

Biology ◽  
2020 ◽  
Vol 9 (3) ◽  
pp. 57 ◽  
Author(s):  
Sara Cruciani ◽  
Giuseppe Garroni ◽  
Giorgio Carlo Ginesu ◽  
Angela Fadda ◽  
Carlo Ventura ◽  
...  
Keyword(s):  
Natural Compounds ◽  
Tissue Homeostasis ◽  
Bioactive Molecules ◽  
Premature Senescence ◽  
Myrtus Communis ◽  
Cellular Mechanisms ◽  
Age Related ◽  
Prevention And Treatment ◽  
Myrtus Communis L ◽  
Pre Treatment

Cellular senescence plays a role in the onset of age-related pathologies and in the loss of tissue homeostasis. Natural compounds of food or plants exert an important antioxidant activity, counteracting the formation of harmful free radicals. In the presence of an intense stressing event, cells activate specific responses to counteract senescence or cell death. In the present paper, we aimed at evaluating the levels of expression of specific markers of senescence, in order to demonstrate that extracts from Myrtus Communis L. can prevent premature senescence in ADSCs exposed to oxidative stress. Cells were cultured in the presence of Myrtus extracts for 12–24 and 48 h and then incubated with H2O2 to induce senescence. We then evaluated the expression of senescence-related markers p16, p19, p21, p53, TERT, c-Myc, and the senescence-associated β-Galactoidase activity. Our results showed that pre-treatment with Myrtus extracts protects cells from premature senescence, by regulating the cell cycle, and inducing the expression of TERT and c-Myc. These findings suggest a potential application of these natural compounds in the prevention and treatment of various diseases, counteracting premature senescence and preserving tissue functions.

scholarly journals Plant-Based Bioactive Molecules in Improving Health and Preventing Lifestyle Diseases

2021 ◽  
Vol 22 (6) ◽  
pp. 2991
Author(s):  
Rosaria Acquaviva ◽  
Giuseppe Antonio Malfa ◽  
Claudia Di Giacomo
Keyword(s):  
Human Health ◽  
Life Style ◽  
Molecular Mechanisms ◽  
Biological Effects ◽  
Natural Compounds ◽  
Bioactive Molecules ◽  
Original Research ◽  
Special Issue ◽  
Research Papers ◽  
Lifestyle Diseases

The Special Issue, “Plant-Based Bioactive Molecules in Improving Health and Preventing Life-style Diseases”, includes original research papers and reviews, which aim to increase knowledge of the molecular mechanisms underlying multiple biological effects of natural compounds from plants, responsible for maintaining human health and improving many diseases caused by people’s daily lifestyles [...]

scholarly journals Natural compounds as potential PI3K-AKT1 signaling pathway inhibitors by means of pharmacophore modeling

2016 ◽  
Author(s):  
Serena Dotolo ◽  
Angelo Gaeta ◽  
Angelo Facchiano
Keyword(s):  
Protein Interactions ◽  
Chemical Properties ◽  
Natural Compounds ◽  
Pharmacophore Modeling ◽  
Bioactive Molecules ◽  
Allosteric Inhibitors ◽  
Protein Ligand Interactions ◽  
Zinc Database ◽  
Complex Protein ◽  
Ligand Interactions

AKT1, a modulator of PI3K-AKT1 pathway, is dysregulated in several human diseases, and understanding deeper its role in the complexity of biological systems remains an important goal. The research has been focused on development and study of potential synthetic-natural allosteric inhibitors for AKT1, and recent studies have shown how some natural compounds may play this role (1). We are interested in a screening of small bioactive molecules, in order to identify the potential “lead compounds”, for next experimental assays, searching those potentially able to inhibit AKT1 and its signaling mechanisms, trying to re-establish the normal balance and safeguarding of human health. The workflow executed is the following: 1) search in PDB database of a model structure for AKT1 (comparing different structures and choosing the most suitable for our purposes), through algorithm BLAST. 2) pharmacophore modeling by means of ZINCpharmer web-server, to investigate all purchasable compounds of the ZINC database, using the Pharmer as efficient and exact pharmacophore search technology (2). 3) screening of possible natural AKT1 inhibitors, using the pharmacophore generated by ZINCpharmer, choosing only the best candidates for next steps. 4) molecular validation of selected compounds, to analyze the ligand-protein interactions. 5) study of physical-chemical properties of selected compounds to trace their origin. 6)prediction of their biosynthetic pathways and Pharmacokinetics/Pharmacodynamics models, by means of ADMET/toxicity predictor server in order to direct the design of next experimental assays. Our attention is focused on the study of natural compounds that can show many health benefits, through the realization and analysis of “pharmacophore modeling”, essential step in drug discovery (3). We selected the PDB structure 3O96 as the reference complex (protein-ligand), and we analyzed it by means of ZINCpharmer, to generate three different “pharmacophore models” with three different list of natural compounds. It is performed a thorough screening of compounds applying other filters, to find some good candidates as possible natural AKT1 allosteric inhibitors. The compounds that match a well-defined pharmacophore have been analyzed through direct molecular docking, for selecting only the best candidates and studying the protein-ligand interactions. Selected compounds have been investigated in more details, to trace their origin, by their chemical-physical properties. This information can help us to predict some plausible enzyme-catalyzed reaction pathways, investigated with PathPred server and KEGG compound database, in order to highlight the most important reactions for biosynthesis of compounds and obtain PharmacoKinetics/PharmacoDynamics (PK/PD) models through ADME predictor server and to realize of next experimental assays. (Abstract truncated at 3,000 characters - the full version is available in the pdf file)

Strategies to target bioactive molecules to subcellular compartments. Focus on natural compounds

2019 ◽  
Vol 181 ◽  
pp. 111557 ◽  
Author(s):  
Lucia Biasutto ◽  
Andrea Mattarei ◽  
Martina La Spina ◽  
Michele Azzolini ◽  
Sofia Parrasia ◽  
...  
Keyword(s):  
Natural Compounds ◽  
Bioactive Molecules ◽  
Subcellular Compartments

scholarly journals Natural compounds as potential PI3K-AKT1 signaling pathway inhibitors by means of pharmacophore modeling

2016 ◽  
Author(s):  
Serena Dotolo ◽  
Angelo Gaeta ◽  
Angelo Facchiano
Keyword(s):  
Protein Interactions ◽  
Chemical Properties ◽  
Natural Compounds ◽  
Pharmacophore Modeling ◽  
Bioactive Molecules ◽  
Allosteric Inhibitors ◽  
Protein Ligand Interactions ◽  
Zinc Database ◽  
Complex Protein ◽  
Ligand Interactions

AKT1, a modulator of PI3K-AKT1 pathway, is dysregulated in several human diseases, and understanding deeper its role in the complexity of biological systems remains an important goal. The research has been focused on development and study of potential synthetic-natural allosteric inhibitors for AKT1, and recent studies have shown how some natural compounds may play this role (1). We are interested in a screening of small bioactive molecules, in order to identify the potential “lead compounds”, for next experimental assays, searching those potentially able to inhibit AKT1 and its signaling mechanisms, trying to re-establish the normal balance and safeguarding of human health. The workflow executed is the following: 1) search in PDB database of a model structure for AKT1 (comparing different structures and choosing the most suitable for our purposes), through algorithm BLAST. 2) pharmacophore modeling by means of ZINCpharmer web-server, to investigate all purchasable compounds of the ZINC database, using the Pharmer as efficient and exact pharmacophore search technology (2). 3) screening of possible natural AKT1 inhibitors, using the pharmacophore generated by ZINCpharmer, choosing only the best candidates for next steps. 4) molecular validation of selected compounds, to analyze the ligand-protein interactions. 5) study of physical-chemical properties of selected compounds to trace their origin. 6)prediction of their biosynthetic pathways and Pharmacokinetics/Pharmacodynamics models, by means of ADMET/toxicity predictor server in order to direct the design of next experimental assays. Our attention is focused on the study of natural compounds that can show many health benefits, through the realization and analysis of “pharmacophore modeling”, essential step in drug discovery (3). We selected the PDB structure 3O96 as the reference complex (protein-ligand), and we analyzed it by means of ZINCpharmer, to generate three different “pharmacophore models” with three different list of natural compounds. It is performed a thorough screening of compounds applying other filters, to find some good candidates as possible natural AKT1 allosteric inhibitors. The compounds that match a well-defined pharmacophore have been analyzed through direct molecular docking, for selecting only the best candidates and studying the protein-ligand interactions. Selected compounds have been investigated in more details, to trace their origin, by their chemical-physical properties. This information can help us to predict some plausible enzyme-catalyzed reaction pathways, investigated with PathPred server and KEGG compound database, in order to highlight the most important reactions for biosynthesis of compounds and obtain PharmacoKinetics/PharmacoDynamics (PK/PD) models through ADME predictor server and to realize of next experimental assays. (Abstract truncated at 3,000 characters - the full version is available in the pdf file)

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