Effective Search of Triterpenes with Anti-HSV-1 Activity Using a Classification Model by Logistic Regression

Ogawa, Koichi; Nakamura, Seikou; Oguri, Haruka; Ryu, Kaori; Yoneda, Taichi; Hosoki, Rumiko

doi:10.3389/fchem.2021.763794

Cited by 4 publications

(2 citation statements)

References 37 publications

(25 reference statements)

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“…Therefore, expanding information on the anti-HSV-1 activity of triterpenes and improving the efficiency of their exploration are urgently required. To improve the efficiency of the development of anti-HSV-1 active compounds, recently, Japanese authors constructed a predictive model for the anti-HSV-1 activity of triterpenes by using the information obtained from previous studies [57]. They constructed a binary classification model (i.e., active or inactive) using a logistic regression algorithm.…”

Section: Miscellaneous Plant Triterpenoidsmentioning

confidence: 99%

Selected Plant Triterpenoids and Their Derivatives as Antiviral Agents

Wimmerová,

Bildziukevich,

Wimmer

2023

Molecules

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The results of the most recent investigation of triterpenoid-based antiviral agents namely in the HIV-1 and HSV-1 treatment were reviewed and summarized. Several key historical achievements are included to stress consequences and continuity in this research. Most of the agents studied belong to a series of compounds derived from betulin or betulinic acid, and their synthetic derivative is called bevirimat. A termination of clinical trials of bevirimat in Phase IIb initiated a search for more successful compounds partly derived from bevirimat or designed independently of bevirimat structure. Surprisingly, a majority of bevirimat mimics are derivatives of betulinic acid, while other plant triterpenoids, such as ursolic acid, oleanolic acid, glycyrrhetinic acid, or other miscellaneous triterpenoids, are relatively rarely involved in a search for a novel antiviral agent. Therefore, this review article is divided into three parts based on the leading triterpenoid core structure.

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Section: Miscellaneous Plant Triterpenoidsmentioning

confidence: 99%

Selected Plant Triterpenoids and Their Derivatives as Antiviral Agents

Wimmerová,

Bildziukevich,

Wimmer

2023

Molecules

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“…Discriminant models have been employed to predict whether a compound will exhibit activity or not, and are often applicable to compounds with more diverse structures. [47][48][49][50][51] In addition to these ligand-based approaches, various structure-based approaches employing information on target proteins have also successfully estimated biological activity. 49,52,53) Liang et al aimed to identify covalently bound natural products against PLK1, which is associated with cell proliferation.…”

Section: Identification Of Active Compounds In Natural Productsmentioning

confidence: 99%

Computer Science Technology in Natural Products Research: A Review of Its Applications and Implications

Ogawa

Daiki

Hosoki

2023

CHEMICAL & PHARMACEUTICAL BULLETIN

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Computational approaches to drug development are rapidly growing in popularity and have been usedto produce significant results. Recent developments in information science have expanded databases and chemical informatics knowledge relating to natural products. Natural products have long been well-studied, and a large number of unique structures and remarkable active substances have been reported. Analyzing accumulated natural product knowledge using emerging computational science techniques is expected to yield more new discoveries. In this article, we discuss the current state of natural product research using machine learning. The basic concepts and frameworks of machine learning are summarized. Natural product research that utilizes machine learning is described in terms of the exploration of active compounds, automatic compound design, and application to spectral data. In addition, efforts to develop drugs for intractable diseases will be addressed. Lastly, we discuss key considerations for applying machine learning in this field. This paper aims to promote progress in natural product research by presenting the current state of computational science and chemoinformatics approaches in terms of its applications, strengths, limitations, and implications for the field.

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From salt pan to saucepan: Salicornia, a halophytic vegetable with an array of potential health benefits

et al. 2023

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Domestication of novel crops from the wild is a key process that ensures food security by addressing adaptability to changing environments. These wild plants offer broader and unique health benefits beyond basic nutrition. Salinization resulted in a drastic reduction of arable land and freshwater intended for cultivation. Thus, the global food production is currently under a risk of meeting the demands. Salt‐tolerant plants (i.e., halophytes) are potential food candidates that can be used to increase the productivity of salinized land and also to enhance the diversification of food production. Salicornia can survive under hypersaline and extreme climatic conditions and deliver tender shoots and dried seeds that can be used as a food with a unique taste, texture, and therapeutic benefits. Although Salicornia is not equally popular among all the food cultures globally, it has been consumed over centuries, and it is now making its way to the shelves of supermarkets in some countries such as the United States, UAE, South Korea, and Mexico. Despite being an underutilized crop, Salicornia possesses an array of chemical compounds or basic derivatives that can enhance antioxidant, anti‐obesity, antidiabetes, anti‐inflammatory, cardioprotective, and neuroprotective properties of human nutrition. The presence of considerable amounts of nutritional elements and various functional bioactive phytochemicals have opened up avenues of using Salicornia as a functional food. The present paper reviews the recognition of Salicornia as a functional food and a potential cash crop in saline agriculture to enhance agricultural productivity and also to diversify the current food supply chain.

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Effective Search of Triterpenes with Anti-HSV-1 Activity Using a Classification Model by Logistic Regression

Cited by 4 publications

References 37 publications

Selected Plant Triterpenoids and Their Derivatives as Antiviral Agents

Selected Plant Triterpenoids and Their Derivatives as Antiviral Agents

Computer Science Technology in Natural Products Research: A Review of Its Applications and Implications

From salt pan to saucepan: Salicornia, a halophytic vegetable with an array of potential health benefits

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