scholarly journals Structure-Based Design of Biologically Active Compounds

Molecules ◽  
2020 ◽  
Vol 25 (14) ◽  
pp. 3115
Author(s):  
Sandra Gemma
Keyword(s):  
Drug Targets ◽  
Biologically Active Compounds ◽  
Biologically Active ◽  
New Drugs ◽  
Structural Knowledge ◽  
Active Compounds ◽  
The Past ◽  
Tremendous Progress

The past decades have witnessed tremendous progress in the detailed structural knowledge of proteins as potential or validated drug targets and the discovery of new drugs based on this wealth of knowledge progressed in parallel [...]

Bioinformatics approach on bioisosterism softwares to be used in drug discovery and development

2021 ◽  
Vol 16 ◽  
Author(s):  
Nelson José Freitas da Silveira ◽  
Walter Filgueira de Azevedo Jr. ◽  
Rita Cardoso Guedes ◽  
Leandro Marcos Santos ◽  
Rodolfo Cabral Marcelino ◽  
...  
Keyword(s):  
Drug Discovery ◽  
Mode Of Action ◽  
Wide Spectrum ◽  
Chemical Properties ◽  
Biologically Active Compounds ◽  
Biologically Active ◽  
New Drugs ◽  
Active Compounds ◽  
Research Areas ◽  
Reduced Toxicity

Background: In the rational drug development field, a bioisosterism is a tool that improves lead compounds performance, reffering to molecular fragment substitution that has similar physical-chemical properties. Thus, it is possible to modulate drug properties such as absorption, toxicity, and half-life increase. This modulation is of pivotal importance in the discovery, development, identification, and interpretation of the mode of action of biologically active compounds. Objective: Our purpose here is to review the development and application of bioisosterism in drug discovery. In this study history, applications, and use of bioisosteric molecules to create new drugs with high binding affinity in the protein-ligand complexes are described. Method: It is an approach for molecular modification of a prototype based on the replacement of molecular fragments with similar physicochemical properties, being related to the pharmacokinetic and pharmacodynamic phase, aiming at the optimization of the molecules. Results: Discovery, development, identification, and interpretation of the mode of action of biologically active compounds are the most important factors for drug design. The strategy adopted for the improvement of leading compounds is bioisosterism. Conclusion: Bioisosterism methodology is a great advance for obtaining new analogs to existing drugs, enabling the development of new drugs with reduced toxicity, in a comparative analysis with existing drugs. Bioisosterism has a wide spectrum to assist in several research areas.

Biologically Active Compounds from Microalgae and its Health Function

2012 ◽  
Vol 554-556 ◽  
pp. 1709-1712
Author(s):  
Yun Yun Xu ◽  
Tao Zhang ◽  
Lei Chen ◽  
Zhen Rong Lin ◽  
Xiao Yu Ge
Keyword(s):  
Fatty Acids ◽  
Functional Foods ◽  
Biologically Active Compounds ◽  
Human Nutrition ◽  
Biologically Active ◽  
New Drugs ◽  
Health Food ◽  
Active Compounds ◽  
Specialty Chemicals ◽  
Health Function

Microalgae are a biochemically diverse assemblage of microorganisms amenable to fermentation and mass culture.Most of these microalgae species produce unique products like carotenoids，antioxidants，fatty acids，enzymes，polymers，peptides，toxins and sterols.Microalgae might become economic sources of new drugs，other specialty chemicals and functional foods because production can be optimized in controlled culture.This paper introduced the biologically active compounds from microalgae and its health function，studies of microalgae in human nutrition and new trends in microalgae food，researched on microalgal health food，and the development of information was provided.

scholarly journals Furochinoline alkaloids in plants from Rutaceae family – a review

2016 ◽  
Vol 29 (1) ◽  
pp. 33-38 ◽  
Author(s):  
Aldona Adamska-Szewczyk ◽  
Kazimierz Glowniak ◽  
Tomasz Baj
Keyword(s):  
Natural Products ◽  
Biologically Active Compounds ◽  
Biologically Active ◽  
Active Compounds ◽  
The Past ◽  
Pharmacological Studies ◽  
Other Substances ◽  
Hiv And Cancer ◽  
Active Natural ◽  
Methods Of Isolation

Abstract Over the past five years, phytochemical and pharmacological studies have been conducted on material extracted from members of the Rutaceae family. In such work, new furochinoline-structured alkaloids were isolated from Ruta sp. and Dictamnus sp. Beyond the aforementioned, other substances with promising activity were isolated from the less-known species of Zanthoxylum, Evodia, Lonchocarpus, Myrthopsis and Teclea. Currently used forms of extraction, as well as methods of isolation and detection, allow the obtaining of pure, biologically active compounds. Many of these have antifungal, anti-bacterial and anti-plasmodial properties. Others are still being researched as potential drugs, which, in future, may be used in treating those afflicted with HIV and cancer. This article is designed to give the readers a thorough review of the active natural products from the Rutaceae family.

scholarly journals PHARMACOLOGICAL ACTIVITY OF A PYRIMIDINE DERIVATIVES

2017 ◽  
Vol 17 (8) ◽  
pp. 167-172
Author(s):  
A.O. Osipov ◽  
P.P. Purygin ◽  
A.V. Dubishchev ◽  
A.A. Osipova
Keyword(s):  
Antiviral Activity ◽  
Pharmacological Activity ◽  
Biologically Active Compounds ◽  
Biologically Active ◽  
New Drugs ◽  
Pyrimidine Derivatives ◽  
Active Compounds

The main directions of the search of biologically active compounds, pyrimi-dine derivatives are described.The synthesis of pyrimidines with anticancer, antimicrobial, antiviral activity is shown as the most frequent in recent years. The examples of compounds are given, which are already being used in medicine practice or may be good starting points for obtaining new drugs.

scholarly journals ДОСЛІДЖЕННЯ ГОСТРОЇ ТОКСИЧНОСТІ ПОХІДНИХ 1,2,4-ТРІАЗОЛУ, ЩО МІСТЯТЬ В СВОЄМУ СКЛАДІ ЯДРО 1Н-ТЕТРАЗОЛУ

2019 ◽  
pp. 23-30
Author(s):  
Фролова Ю. С. ◽  
Каплаушенко А. Г.
Keyword(s):  
Acute Toxicity ◽  
Biologically Active Compounds ◽  
Biologically Active ◽  
New Drugs ◽  
Active Compounds ◽  
Multi Stage ◽  
Preclinical Trials ◽  
Stage Process ◽  
Derivatives Of

The design of new drugs is a rather complex and multi-stage process. The modeling and creation of new biologically active compounds are one of the stages of this operation. One of the important stages of preclinical trials is the study of acute toxicity of newly synthesized compounds. Great interest in this branch is nitrogen-containing heterocycles, namely 1,2,4-triazole and their derivatives.Therefore, the purpose of our work is to study acute toxicity among new derivatives of 5-(1H-tetrazole-1-yl)-4-R-3-thio(amino)-1,2,4-triazole. The study of acute toxicity was carried out by the method of V. B. Prozorovsky on the white nonlinear rats.As a result of the experiments, acute toxicity of the 41 synthesized compounds was determined. The value of the LD50 of new derivatives of 5-(1H-tetrazole-1-yl)-4-R-3-thio(amino)-1,2,4-triazole is in the range of 357-1060 mg/kg, and according to the classification of Sidorov I. K. belong to IV and V toxicity classes.

Nickel(0)-Catalyzed Linear-Selective Hydroarylation of Unactivated Alkenes and Styrenes with Arylboron Acids

2018 ◽  
Author(s):  
Honggui Lv ◽  
Li-Jun Xiao ◽  
Dongbing Zhao ◽  
Qi-Lin Zhou
Keyword(s):  
Butyric Acid ◽  
Biologically Active Compounds ◽  
Biologically Active ◽  
Active Compounds ◽  
Highly Efficient ◽  
Organoboronic Acids

Herein, we realized the first linear-selective hydroarylation of unactivated alkenes and styrenes with organoboronic acids by introducing directing groupon alkenes. Our method is highly efficient and scalable, and provides a modular route to assemble structurally diverse alkylarenes, especially for γ-aryl butyric acid derivatives, which have been widely utilized as chemical feedstocks to access multiple marketed drugs, and biologically active compounds.<br>

SOME DIRECTIONS IN THE MODIFICATION OF AZOLES

2020 ◽  
Vol 5 (443) ◽  
pp. 85-91
Author(s):  
Ibrayev M.K., ◽  
◽  
Takibayeva A.T., ◽  
Fazylov S.D., ◽  
Rakhimberlinova Zh.B., ◽  
...  
Keyword(s):  
13C Nmr Spectroscopy ◽  
Biologically Active Compounds ◽  
Biologically Active ◽  
Active Compounds ◽  
Synthesis Conditions ◽  
Alkaloid Cytisine ◽  
Azole Ring ◽  
Cyclic Compounds ◽  
New Compounds ◽  
Derivatives Of

This article presents studies on the targeted search for new derivatives of azoles, such as benzthiazole, 3,5-dimethylpyrazole, 1,3,4-oxadiazole-2-thione, 1,3,4-thiadiazole. The possibility of combining in one molecule of the azole ring with other cyclic compounds: the alkaloid cytisine, morpholine, furan and some arenes has been studied. To obtain new compounds, the reactions of bromination, acylation, and interaction with isothiocyanates were studied. Optimal synthesis conditions were studied for all reactions. It was found that the reaction of 4-bromo-3,5-dimethylpyrazole with isothiocyanates, in contrast to the previously written derivatives of anilines, takes a longer time and requires heating the reaction mixture. The combination of a pirasol fragment with halide substituents often results in an enhanced therapeutic effect. The synthesized 2-bromine-N-(6-rodanbenzo[d]thiazole-2-yl)acetamide, due to the alkylbromide group, is an important synth in the synthesis of new benzthiazole derivatives. Its derivatives combine in one molecule the rest of rhodanbenzthiazole with alkaloid cytisine and biogenic amine morpholine and are potentially biologically active compounds, since the molecule structure contains several pharmacophoric fragments: benzthiazole and alkaloid (amine) heterocycles, rhodane and urea groups. The mechanism of formation of 1,3,4-oxadiazole-2-tyons from hydrazides under action on them by carbon disulfide was studied and assumed. It was shown that dithiocarbamates in acidic medium decompose with the release of hydrogen sulfide and the formation of highly reactive isothiocyanate group. Then, intra-molecular cyclization occurs, with the formation of end products - 1,3,4-oxadiazole-2-thions. The structures of the synthesized compounds were studied by 1H and 13C NMR spectroscopy. All synthesized substances are potentially biologically active compounds, since they contain several pharmacophore fragments in their structure.

Lactoferrin in Bone Tissue Regeneration

2020 ◽  
Vol 27 (6) ◽  
pp. 838-853 ◽  
Author(s):  
Madalina Icriverzi ◽  
Valentina Dinca ◽  
Magdalena Moisei ◽  
Robert W. Evans ◽  
Mihaela Trif ◽  
...  
Keyword(s):  
Bone Tissue ◽  
Tissue Regeneration ◽  
Bone Cells ◽  
Bone Diseases ◽  
Biologically Active Compounds ◽  
Biologically Active ◽  
Bone Tissue Regeneration ◽  
Bone Homeostasis ◽  
Active Compounds

: Among the multiple properties exhibited by lactoferrin (Lf), its involvement in bone regeneration processes is of great interest at the present time. A series of in vitro and in vivo studies have revealed the ability of Lf to promote survival, proliferation and differentiation of osteoblast cells and to inhibit bone resorption mediated by osteoclasts. Although the mechanism underlying the action of Lf in bone cells is still not fully elucidated, it has been shown that its mode of action leading to the survival of osteoblasts is complemented by its mitogenic effect. Activation of several signalling pathways and gene expression, in an LRPdependent or independent manner, has been identified. Unlike the effects on osteoblasts, the action on osteoclasts is different, with Lf leading to a total arrest of osteoclastogenesis. : Due to the positive effect of Lf on osteoblasts, the potential use of Lf alone or in combination with different biologically active compounds in bone tissue regeneration and the treatment of bone diseases is of great interest. Since the bioavailability of Lf in vivo is poor, a nanotechnology- based strategy to improve the biological properties of Lf was developed. The investigated formulations include incorporation of Lf into collagen membranes, gelatin hydrogel, liposomes, loading onto nanofibers, porous microspheres, or coating onto silica/titan based implants. Lf has also been coupled with other biologically active compounds such as biomimetic hydroxyapatite, in order to improve the efficacy of biomaterials used in the regulation of bone homeostasis. : This review aims to provide an up-to-date review of research on the involvement of Lf in bone growth and healing and on its use as a potential therapeutic factor in bone tissue regeneration.

Diverse thiophenes as scaffolds in anti-cancer drug development: A concise review

2020 ◽  
Vol 20 ◽  
Author(s):  
Neha V. Bhilare ◽  
Pratibha B. Auti ◽  
Vinayak S. Marulkar ◽  
Vilas J. Pise
Keyword(s):  
Drug Development ◽  
Anticancer Agents ◽  
Heterocyclic Ring ◽  
Biologically Active Compounds ◽  
Biologically Active ◽  
Cancer Drug ◽  
Active Compounds ◽  
Natural Origin ◽  
Concise Review ◽  
Anti Cancer

: Thiophenes are one among the abundantly found heterocyclic ring systems in many biologically active compounds. Moreover various substituted thiophenes exert numerous pharmacological actions on account of their isosteric resemblance with compounds of natural origin thus rendering them with diverse actions like antibacterial, antifungal, antiviral, anti-inflammatory, analgesic, antiallergic, hypotensives etc.. In this review we specifically explore the chemotherapeutic potential of variety of structures consisting of thiophene scaffolds as prospective anticancer agents.

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