Review of Current and Emerging Approaches for Quantitative Nanostructure-Activity Relationship Modeling

2016 ◽  
Vol 1 (1) ◽  
pp. 1-16 ◽  
Author(s):  
Natalia Sizochenko ◽  
Jerzy Leszczynski
Keyword(s):  
Computational Analysis ◽  
Inorganic Nanoparticles ◽  
Future Perspectives ◽  
Qsar Modeling ◽  
Advantages And Disadvantages ◽  
The Past ◽  
Structure Activity ◽  
Inorganic Nanomaterials ◽  
Toxicity Mechanisms ◽  
Statistical Approaches

Quantitative structure-activity/property relationships (QSAR/QSPR) approaches that have been applied with success in a number of studies are currently used as indispensable tools in the computational analysis of nanomaterials. Evolution of nano-QSAR methodology to the ranks of novel field of knowledge has resulted in the development of new so-called “nano-descriptors” and extension of the statistical approaches domain. This brief review focuses on the critical analysis of advantages and disadvantages of existing methods of nanoparticles' representation and their analysis in framework of structure-activity relationships. It summarizes recent QSAR/QSPR studies on inorganic nanomaterials. Here the authors describe practices for the QSAR modeling of inorganic nanoparticles, existing datasets, and discuss applicable descriptors and future perspectives of this field. About 50 different (Q)SAR/SPR models for inorganic nanomaterials have been developed during the past 5 years. An analysis of these peer reviewed publications shows that the most popular property of nanoparticles modeled via QSAR is their toxicity towards different bacteria, cell lines, and microorganisms. It has been clearly shown how nano-QSAR can contribute to the elucidation of toxicity mechanisms and different physical properties of inorganic nanomaterials.

Review of Current and Emerging Approaches for Quantitative Nanostructure-Activity Relationship Modeling

2017 ◽  
pp. 1704-1721 ◽  
Author(s):  
Natalia Sizochenko ◽  
Jerzy Leszczynski
Keyword(s):  
Critical Analysis ◽  
Inorganic Nanoparticles ◽  
Quantitative Structure ◽  
Future Perspectives ◽  
Qsar Modeling ◽  
Advantages And Disadvantages ◽  
Structure Activity ◽  
Inorganic Nanomaterials ◽  
Toxicity Mechanisms ◽  
Statistical Approaches

Quantitative structure-activity/property relationships (QSAR/QSPR) approaches that have been applied with success in a number of studies are currently used as indispensable tools in the computational analysis of nanomaterials. Evolution of nano-QSAR methodology to the ranks of novel field of knowledge has resulted in the development of new so-called “nano-descriptors” and extension of the statistical approaches domain. This brief review focuses on the critical analysis of advantages and disadvantages of existing methods of nanoparticles' representation and their analysis in framework of structure-activity relationships. It summarizes recent QSAR/QSPR studies on inorganic nanomaterials. Here the authors describe practices for the QSAR modeling of inorganic nanoparticles, existing datasets, and discuss applicable descriptors and future perspectives of this field. About 50 different (Q)SAR/SPR models for inorganic nanomaterials have been developed during the past 5 years. An analysis of these peer reviewed publications shows that the most popular property of nanoparticles modeled via QSAR is their toxicity towards different bacteria, cell lines, and microorganisms. It has been clearly shown how nano-QSAR can contribute to the elucidation of toxicity mechanisms and different physical properties of inorganic nanomaterials.

scholarly journals 3D In Vitro Human Organ Mimicry Devices for Drug Discovery, Development, and Assessment

2020 ◽  
Vol 2020 ◽  
pp. 1-41
Author(s):  
Aida Rodriguez-Garcia ◽  
Jacqueline Oliva-Ramirez ◽  
Claudia Bautista-Flores ◽  
Samira Hosseini
Keyword(s):  
Drug Discovery ◽  
Essential Role ◽  
Future Perspectives ◽  
Human Organ ◽  
Comprehensive Review ◽  
Advantages And Disadvantages ◽  
The Past ◽  
Animal Trials ◽  
On Chip

The past few decades have shown significant advancement as complex in vitro humanized systems have substituted animal trials and 2D in vitro studies. 3D humanized platforms mimic the organs of interest with their stimulations (physical, electrical, chemical, and mechanical). Organ-on-chip devices, including in vitro modelling of 3D organoids, 3D microfabrication, and 3D bioprinted platforms, play an essential role in drug discovery, testing, and assessment. In this article, a thorough review is provided of the latest advancements in the area of organ-on-chip devices targeting liver, kidney, lung, gut, heart, skin, and brain mimicry devices for drug discovery, development, and/or assessment. The current strategies, fabrication methods, and the specific application of each device, as well as the advantages and disadvantages, are presented for each reported platform. This comprehensive review also provides some insights on the challenges and future perspectives for the further advancement of each organ-on-chip device.

History of EPI Suite™ and future perspectives on chemical property estimation in US Toxic Substances Control Act new chemical risk assessments

2017 ◽  
Vol 19 (3) ◽  
pp. 203-212 ◽  
Author(s):  
Marcella L. Card ◽  
Vicente Gomez-Alvarez ◽  
Wen-Hsiung Lee ◽  
David G. Lynch ◽  
Nerija S. Orentas ◽  
...  
Keyword(s):  
Chemical Property ◽  
Risk Assessments ◽  
Toxic Substances ◽  
Future Perspectives ◽  
Qsar Modeling ◽  
Chemical Risk ◽  
The Past ◽  
Property Estimation ◽  
History Of ◽  
Toxic Substances Control Act

A discussion of the past developments, current practices, and future opportunities in QSAR modeling for new chemical risk assessments.

scholarly journals Inorganic Nanoparticles for Cancer Treatment

2020 ◽  
Author(s):  
Heidi Abrahamse ◽  
Hanieh Montaseri ◽  
Cherie Kruger
Keyword(s):  
Photodynamic Therapy ◽  
Cancer Treatment ◽  
Photothermal Therapy ◽  
Reactive Oxygen ◽  
Inorganic Nanoparticles ◽  
Future Perspectives ◽  
The Past ◽  
Photosensitizing Agents

The application of porphyrins and their derivatives have been investigated extensively over the past years for phototherapy cancer treatment. Phototherapeutic Porphyrins have the ability to generate high levels of reactive oxygen with a low dark toxicity and these properties have made them robust photosensitizing agents. In recent years, Porphyrins have been combined with various nanomaterials in order to improve their bio-distribution. These combinations allow for nanoparticles to enhance photodynamic therapy (PDT) cancer treatment and adding additional nanotheranostics (photothermal therapy—PTT) as well as enhance photodiagnosis (PDD) to the reaction. This review examines various porphyrin-based inorganic nanoparticles developed for phototherapy nanotheranostic cancer treatment over the last three years (2017 to 2020). Furthermore, current challenges in the development and future perspectives of porphyrin-based nanomedicines for cancer treatment are also highlighted.

A Review of Light Sources and Enhanced Targeting for Photodynamic Therapy.

2021 ◽  
Vol 28 ◽  
Author(s):  
Menghua Xiang ◽  
Quanming Zhou ◽  
Zihan Shi ◽  
Xuan Wang ◽  
Mengchu Li ◽  
...  
Keyword(s):  
Photodynamic Therapy ◽  
Clinical Applications ◽  
Light Sources ◽  
Oxygen Species ◽  
Future Perspectives ◽  
Local Irradiation ◽  
Advantages And Disadvantages ◽  
The Past ◽  
In Situ Generation

: Photodynamic Therapy (PDT), as a clinically approved modality for the treatment of various disordered diseases including cancer, has received great advances in recent years. By preferentially accumulating non-toxic Photosensitizers (PSs) in the pathological area, and in situ generation of cytotoxic reactive oxygen species (ROS) under local irradiation by a light source with appropriate wavelength, PDT works in a dual-selective manner. Over the past decades, numerous studies and reviews on PDT mainly focused on activable PSs and the newly emerging PSs in PDT. However, to the best of our knowledge, there are few articles on the systematic introduction of light sources and limited reports about targeted strategies in PDT. This review comprehensively summarizes various light sources applied in PDT together with typical enhanced targeting strategies, and outlines their advantages and disadvantages, respectively. The clinical applications and future perspectives in light sources are also partly presented and discussed.

scholarly journals Recent Advances in Porphyrin-Based Inorganic Nanoparticles for Cancer Treatment

2020 ◽  
Vol 21 (9) ◽  
pp. 3358 ◽  
Author(s):  
Hanieh Montaseri ◽  
Cherie Ann Kruger ◽  
Heidi Abrahamse
Keyword(s):  
Photodynamic Therapy ◽  
Cancer Treatment ◽  
Photothermal Therapy ◽  
Reactive Oxygen ◽  
Inorganic Nanoparticles ◽  
Future Perspectives ◽  
The Past ◽  
Recent Advances ◽  
Photosensitizing Agents

The application of porphyrins and their derivatives have been investigated extensively over the past years for phototherapy cancer treatment. Phototherapeutic Porphyrins have the ability to generate high levels of reactive oxygen with a low dark toxicity and these properties have made them robust photosensitizing agents. In recent years, Porphyrins have been combined with various nanomaterials in order to improve their bio-distribution. These combinations allow for nanoparticles to enhance photodynamic therapy (PDT) cancer treatment and adding additional nanotheranostics (photothermal therapy—PTT) as well as enhance photodiagnosis (PDD) to the reaction. This review examines various porphyrin-based inorganic nanoparticles developed for phototherapy nanotheranostic cancer treatment over the last three years (2017 to 2020). Furthermore, current challenges in the development and future perspectives of porphyrin-based nanomedicines for cancer treatment are also highlighted.

Comparison and Analysis of Computational Methods for Identifying N6 - methyladenosine Sites in Saccharomyces Cerevisiae

2020 ◽  
Vol 26 ◽  
Author(s):  
Pengmian Feng ◽  
Lijing Feng ◽  
Chaohui Tang
Keyword(s):  
Saccharomyces Cerevisiae ◽  
Computational Methods ◽  
Computational Analysis ◽  
Computational Prediction ◽  
Experimental Methods ◽  
Biological Processes ◽  
Biological Functions ◽  
Precise Location ◽  
Future Directions ◽  
The Past

Background and Purpose: N 6 -methyladenosine (m6A) plays critical roles in a broad set of biological processes. Knowledge about the precise location of m6A site in the transcriptome is vital for deciphering its biological functions. Although experimental techniques have made substantial contributions to identify m6A, they are still labor intensive and time consuming. As good complements to experimental methods, in the past few years, a series of computational approaches have been proposed to identify m6A sites. Methods: In order to facilitate researchers to select appropriate methods for identifying m6A sites, it is necessary to give a comprehensive review and comparison on existing methods. Results: Since researches on m6A in Saccharomyces cerevisiae are relatively clear, in this review, we summarized recent progresses on computational prediction of m6A sites in S. cerevisiae and assessed the performance of existing computational methods. Finally, future directions of computationally identifying m6A sites were presented. Conclusion: Taken together, we anticipate that this review will provide important guides for computational analysis of m 6A modifications.

Integrating Bioinformatics Strategies in Cancer Immunotherapy: Current and Future Perspectives

2020 ◽  
Vol 23 (8) ◽  
pp. 687-698 ◽  
Author(s):  
Houda N. Washah ◽  
Elliasu Y. Salifu ◽  
Opeyemi Soremekun ◽  
Ahmed A. Elrashedy ◽  
Geraldene Munsamy ◽  
...  
Keyword(s):  
Cancer Immunotherapy ◽  
Therapeutic Potential ◽  
Cell Cancer ◽  
Full Potential ◽  
Future Perspectives ◽  
The Past ◽  
Bioinformatics Tools ◽  
Treatment Paradigm ◽  
Immunotherapy Of Cancer ◽  
Significant Attention

For the past few decades, the mechanisms of immune responses to cancer have been exploited extensively and significant attention has been given into utilizing the therapeutic potential of the immune system. Cancer immunotherapy has been established as a promising innovative treatment for many forms of cancer. Immunotherapy has gained its prominence through various strategies, including cancer vaccines, monoclonal antibodies (mAbs), adoptive T cell cancer therapy, and immune checkpoint therapy. However, the full potential of cancer immunotherapy is yet to be attained. Recent studies have identified the use of bioinformatics tools as a viable option to help transform the treatment paradigm of several tumors by providing a therapeutically efficient method of cataloging, predicting and selecting immunotherapeutic targets, which are known bottlenecks in the application of immunotherapy. Herein, we gave an insightful overview of the types of immunotherapy techniques used currently, their mechanisms of action, and discussed some bioinformatics tools and databases applied in the immunotherapy of cancer. This review also provides some future perspectives in the use of bioinformatics tools for immunotherapy.

Single Heterocyclic Compounds as Monoamine Oxidase Inhibitors: From Past to Present

2020 ◽  
Vol 20 (10) ◽  
pp. 908-920 ◽  
Author(s):  
Su-Min Wu ◽  
Xiao-Yang Qiu ◽  
Shu-Juan Liu ◽  
Juan Sun
Keyword(s):  
Monoamine Oxidase ◽  
Heterocyclic Compounds ◽  
Biological Activities ◽  
The Past ◽  
Structure Activity ◽  
Receptor Interactions ◽  
Heterocyclic Derivatives ◽  
Inhibitory Activities ◽  
Leading Compounds ◽  
Heterocyclic Moiety

Inhibitors of monoamine oxidase (MAO) have shown therapeutic values in a variety of neurodegenerative diseases such as depression, Parkinson’s disease and Alzheimer’s disease. Heterocyclic compounds exhibit a broad spectrum of biological activities and vital leading compounds for the development of chemical drugs. Herein, we focus on the synthesis and screening of novel single heterocyclic derivatives with MAO inhibitory activities during the past decade. This review covers recent pharmacological advancements of single heterocyclic moiety along with structure- activity relationship to provide better correlation among different structures and their receptor interactions.

scholarly journals Past, Present and Future Perspectives on Groundnut Breeding in Burkina Faso

Agronomy ◽  
2020 ◽  
Vol 10 (5) ◽  
pp. 704
Author(s):  
Moumouni Konate ◽  
Jacob Sanou ◽  
Amos Miningou ◽  
David Kalule Okello ◽  
Haile Desmae ◽  
...  
Keyword(s):  
Burkina Faso ◽  
Development Research ◽  
Future Perspectives ◽  
Major Drawback ◽  
Essential Information ◽  
Biotic Stresses ◽  
The Past ◽  
Political Independence ◽  
Arachis Hypogaea L ◽  
Yield Penalty

Groundnut (Arachis hypogaea L.) is a major food and cash crop in Burkina Faso. Due to the growing demand for raw oilseeds, there is an increasing interest in groundnut production from traditional rain-fed areas to irrigated environments. However, despite implementation of many initiatives in the past to increase groundnut productivity and production, the groundnut industry still struggles to prosper due to the fact of several constraints including minimal development research and fluctuating markets. Yield penalty due to the presence of drought and biotic stresses continue to be a major drawback for groundnut production. This review traces progress in the groundnut breeding that started in Burkina Faso before the country’s political independence in 1960 through to present times. Up to the 1980s, groundnut improvement was led by international research institutions such as IRHO (Institute of Oils and Oleaginous Research) and ICRISAT (International Crops Research Institute for the Semi-Arid Tropics). However, international breeding initiatives were not sufficient to establish a robust domestic groundnut breeding programme. This review also provides essential information about opportunities and challenges for groundnut research in Burkina Faso, emphasising the need for institutional attention to genetic improvement of the crop.

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