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1.
Bioresour Technol ; 324: 124594, 2021 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-33453518

RESUMO

Catalytic pyrolysis of ulva lactuca (UL) macroalgae was studied over a series of ZrO2 supported metal such as Co, Ni and Co-Ni metal catalysts at temperature range of 300-500 °C. Highest bio-oil yield (47.8 wt%) was found with Co-Ni/ZrO2 (10 wt%) catalyst while non-catalytic yielded 42.5 wt% bio-oil. Moreover with increases the metal amount to 15 wt%, the bio-oil yield slightly increased (49.2 wt%). The bio-oil quality significantly improved with using the catalysts compared to the non-catalytic pyrolysis. Catalytic pyrolysis also revealed that introducing Co-Ni into the ZrO2 could result in higher surface area and which increased active sites. Catalytic bio-oils were consisted of mainly long chain hydrocarbon in the range of C6-C16. Moreover, the catalytic bio-oils were showed the higher 'high heating value' (HHV) 38.1 MJ/kg as compare to non-catalytic bio-oils (29.4 MJ/kg). Catalysts have been showed excellent recyclability on bio-oil yield and compounds selectivity.


Assuntos
Alga Marinha , Ulva , Biocombustíveis , Catálise , Temperatura Alta , Óleos Vegetais , Polifenóis , Pirólise
2.
Bioorg Chem ; 105: 104400, 2020 Oct 21.
Artigo em Inglês | MEDLINE | ID: mdl-33128966

RESUMO

The rise of drug-resistance has made the deserted clinical requirement to improve of new classes of antibiotics agents. The development of antibacterial agents with the novel method of activity stays a high need worldwide. The treatment of bacterial infections remains a test in light of developing irresistible sicknesses and the expanding number of multidrug-resistance microbial pathogens. Therefore, there is a need for powerful activities to think of new successful therapeutic agents, and it is dire to find novel synthetic analogs against bacterial targets. The improvements of new, less harmful, minimum side-effort, and extremely dynamic sulfonyl or sulfonamide-bearing analogs are hot research topics in medicinal chemistry. This present review summarizes the current innovations of sulfonyl or sulfonamide-based derivatives with potential antibacterial activities against various Gram-positive and Gram-negative bacterial strains and discussing its various aspects of structure-activity relationship (SAR).

3.
Eur J Med Chem ; 209: 112886, 2020 Sep 29.
Artigo em Inglês | MEDLINE | ID: mdl-33032083

RESUMO

With the increasing number of cases of inactive and drug-resistance tuberculosis, there is an urgent need to develop new potent molecules set for fighting this brutal disease. Medicinal chemistry concerns the discovery, the development, the identification, and the interpretation of the mode of action of biologically active compounds at the molecular level. Molecules bearing oxadiazoles are one such class that could be considered to satisfy this need. Oxadiazole regioisomers have been investigated in drug discovery programs for their capacity to go about as powerful linkers and as pharmacophoric highlights. Oxadiazoles can go about as bioisosteric substitutions for the hydrazide moiety which can be found in first-line anti-TB drugs, and some have been likewise answered to cooperate with more current anti-TB targets. This present review summarizes the current innovations of oxadiazole-based derivatives with potential antituberculosis activity and bacteria discussing various aspects of structure-activity relationship (SAR).

4.
Eur J Med Chem ; 207: 112832, 2020 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-32971428

RESUMO

The development of drug-resistant bacteria, as well as multidrug-resistant pathogens related to substantial mortality, is an important global health threat. The wide range of biological activities and the wealthy use of coumarin-containing drugs in the clinic have encouraged more and more interest in this class of heterocycles. Various coumarin-based antibiotic hybrids have been developed in the last decade and most of them exhibited potential antibacterial potency. This present review summarizes the current innovations of coumarin-based derivatives with potential antibacterial activities against a variety of Gram-negative and Gram-positive bacteria discussing various aspects of structure-activity relationship (SAR). The improved SAR will provide further insight into the rational improvement of coumarin hybrids with astounding strength against multidrug-resistant bacteria.

5.
Chem Commun (Camb) ; 56(58): 8075-8078, 2020 Jul 21.
Artigo em Inglês | MEDLINE | ID: mdl-32542267

RESUMO

A versatile selectively addressable SuFEx click chemistry hub, but-3-ene-1,3-disulfonyl difluoride (BDF) was designed and synthesized through head-to-tail dimerization of ethenesulfonyl fluoride (ESF). BDF possesses three active sites to selectively participate in the construction of 4-membered, 5-membered and 6-membered cyclic sulfonamide (sultams) bearing aliphatic sulfonyl fluoride moieties for further manipulations in a fast, efficient and practical manner.

6.
Eur J Med Chem ; 193: 112215, 2020 May 01.
Artigo em Inglês | MEDLINE | ID: mdl-32179331

RESUMO

Malaria remains a serious worldwide health danger and massive economic trouble to disease-endemic nations. Presently, 250 million of malarial cases are expected worldwide. The emergence of fighting of the Plasmodium parasite against the first-line antimalarial drugs has fueled research attention in the way of designing new scaffolds as well as strategies to counter the drug resistance. Chalcones are simple and well-known analogs, which were found in a huge number of natural compounds and also been prepared according to their suitable synthetic approaches. This review illustrates the current progresses on structure-activity relationship (SAR) and mechanism of diverse types of chalcone derivatives that play a significant role for the development of novel safe, less toxic and highly active antimalarials. This present mini-review will be useful to scientists in research fields of medicinal chemistry, organic synthesis, and also various biological applications particularly for the development of novel antiplasmodial and antimalarial agents.


Assuntos
Antimaláricos/farmacologia , Chalcona/farmacologia , Descoberta de Drogas , Malária/tratamento farmacológico , Plasmodium falciparum/efeitos dos fármacos , Animais , Antimaláricos/síntese química , Antimaláricos/química , Chalcona/síntese química , Chalcona/química , Relação Dose-Resposta a Droga , Humanos , Estrutura Molecular , Testes de Sensibilidade Parasitária , Relação Estrutura-Atividade
7.
Eur J Med Chem ; 194: 112245, 2020 May 15.
Artigo em Inglês | MEDLINE | ID: mdl-32220687

RESUMO

Antibacterial-resistance speaks to an overall alarm, particularly in regards to the flare-up of methicillin-resistance Staphylococcus aureus (MRSA), a classic reason for genuine skin and flimsy tissues diseases. Clinically noteworthy antibacterial-resistance is probably the best challenge of the 21st century. Notwithstanding, new-fangled antibiotics are right now being created at a much more slow pace than our developing requirement for such drugs. The intriguing atomic structure of indole ring makes them appropriate possibility for the drug advancement. In this scaled down survey we abridge novel indole-based derivatives potency against diverse bacterial strains. Specifically, we plot the connection between the different structures of altered indole derivatives along with its antibacterial movement against multidrug-resistance MRSA could be discussed. This prepared information may fill in as a target for the adjustment of accessible molecules to plan new powerful antibacterial agents with lesser side effects.


Assuntos
Antibacterianos/farmacologia , Indóis/farmacologia , Staphylococcus aureus Resistente à Meticilina/efeitos dos fármacos , Antibacterianos/química , Relação Dose-Resposta a Droga , Farmacorresistência Bacteriana/efeitos dos fármacos , Indóis/química , Testes de Sensibilidade Microbiana , Estrutura Molecular , Relação Estrutura-Atividade
8.
Eur J Med Chem ; 185: 111804, 2020 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-31675510

RESUMO

The emergence of drug resistance has created unmet medical need for the development of new classes of antibiotics. Innovation of new antibacterial agents with new mode of action remains a high priority universally. Triazines are six-membered, nitrogen-containing heterocyclic scaffold with a wide range of pharmaceutical properties such as antibacterial, antifungal, anticancer, antioxidants, antitubercular, antimalarial, anti-HIV, anticonvulsant, anti-inflammatory, antiulcer, and analgesic activities. The present review focuses on the recent developments in the area of medicinal chemistry to discover various chemical structures as potential antimicrobial agents and their structure-activity relationships (SAR) studies are also discussed for further rational design of this kind of derivatives.


Assuntos
Antibacterianos/farmacologia , Antivirais/farmacologia , Bactérias/efeitos dos fármacos , Triazinas/farmacologia , Vírus/efeitos dos fármacos , Antibacterianos/química , Antivirais/química , Humanos , Testes de Sensibilidade Microbiana , Estrutura Molecular , Triazinas/química
9.
iScience ; 21: 695-705, 2019 Nov 22.
Artigo em Inglês | MEDLINE | ID: mdl-31733515

RESUMO

Rh-catalyzed, highly enantioselective (up to 99.8% ee) synthesis of aliphatic sulfonyl fluorides was accomplished. This protocol provides a portal to a class of novel 2-aryl substituted chiral sulfonyl fluorides, which are otherwise extremely difficult to access. This asymmetric synthesis has the feature of mild conditions, excellent functional group compatibility, and wide substrate scope (51 examples) generating a wide array of structurally unique chiral ß-arylated sulfonyl fluorides for sulfur(VI) fluoride exchange (SuFEx) click reaction and drug discovery.

10.
Bioorg Chem ; 91: 103133, 2019 10.
Artigo em Inglês | MEDLINE | ID: mdl-31374524

RESUMO

The increase in antibiotic resistance due to various factors has encouraged the look for novel compounds which are active against multidrug-resistant pathogens. In this framework, chalcone-based compounds showed a diversity of pharmacological properties, and its derivatives possess a high degree of structural diversity, and it is helpful for the discovery of new therapeutic agents. The growing resistance to antibiotics worldwide has endangered their efficacy. This has led to a surging interest in the discovery of new antibacterial agents. Thus, there is an urgent need for new antibacterial drug candidates with increased strength, new targets, low cost, superior pharmacokinetic properties, and minimum side effects. The present review concluded and focuses on the recent developments in the area of medicinal chemistry to explore the diverse chemical structures of potent antibacterial agents and also describes its structure-activity relationships studies. The various synthetic structures leading to this class of neutral protective compound is common and additional structural optimization is promising for potential drug discovery and development.


Assuntos
Antibacterianos/farmacologia , Chalconas/farmacologia , Animais , Antibacterianos/química , Bactérias/efeitos dos fármacos , Chalconas/química , Desenvolvimento de Medicamentos , Descoberta de Drogas , Humanos , Testes de Sensibilidade Microbiana , Estrutura Molecular , Relação Estrutura-Atividade
11.
Eur J Med Chem ; 181: 111566, 2019 Nov 01.
Artigo em Inglês | MEDLINE | ID: mdl-31401538

RESUMO

The worldwide increase of AIDS, an epidemic infection in constant development has an essential and still requires potent antiretroviral chemotherapeutic agents for reducing the integer of deaths caused by HIV. Thus, there is an urgent need for new anti-HIV drug candidates with increased strength, new targets, superior pharmacokinetic properties, and compact side effects. From this viewpoint, we first review present strategies of anti-HIV drug innovation and the synthesis of heterocyclic or natural compound as anti-HIV agents for facilitating the development of more influential and successful anti-HIV agents.


Assuntos
Fármacos Anti-HIV/química , Fármacos Anti-HIV/farmacologia , Infecções por HIV/tratamento farmacológico , HIV-1/efeitos dos fármacos , Fármacos Anti-HIV/síntese química , Técnicas de Química Sintética/métodos , Desenho de Fármacos , Descoberta de Drogas , Humanos , Modelos Moleculares , Relação Estrutura-Atividade
12.
Eur J Med Chem ; 180: 656-672, 2019 Oct 15.
Artigo em Inglês | MEDLINE | ID: mdl-31352246

RESUMO

Alzheimer's disease (AD) is a well known neurodegenerative disorder alarming millions of people worldwide and the subsequent epidemiological statistics highlights the implication of the disease. AD is a multi-factorial disease, a variety of single-target directed drugs that have reached clinical trials have unsuccessful. Hence, various factors associated without set of AD have been considered in targeted drug discovery and development. Triazoles are five-membered heterocyclic scaffold due to their broad range of biological activities. The present review focuses on the recent developments in the area of medicinal chemistry to explore the diverse chemical structures of potential inhibitors of Alzheimer's disease and also look at its structure-activity relationships (SAR) studies of bioactive compounds for future discovery of suitable drug candidates. The prominence has been given on the major advancements in the medicinal brochure of this pharmacophore for the period during 2012-2019.


Assuntos
Doença de Alzheimer/tratamento farmacológico , Inibidores da Colinesterase/farmacologia , Fármacos Neuroprotetores/farmacologia , Triazóis/farmacologia , Acetilcolinesterase/metabolismo , Doença de Alzheimer/metabolismo , Butirilcolinesterase/metabolismo , Inibidores da Colinesterase/química , Relação Dose-Resposta a Droga , Humanos , Estrutura Molecular , Fármacos Neuroprotetores/química , Relação Estrutura-Atividade , Triazóis/química
13.
Bioorg Chem ; 90: 103093, 2019 09.
Artigo em Inglês | MEDLINE | ID: mdl-31288137

RESUMO

A series of amino acids conjugated quinazolinone-Schiff's bases were synthesized and characterized by analytical and spectroscopic methods. All the synthesized analogues (8-43) and the intermediates (1-7) were screened for their in vitro antibacterial and antifungal activities. In antimicrobial activity, compounds 12-16, 21-25, 30-34 and 39-43 showed excellent antibacterial activity which is better than the antibacterial standard Streptomycin. Compounds 15, 23-25, 30-34, 36 and 38-43 showed excellent antifungal activities which is more active than the reference antifungal drug Bavistin. Further, to understand the correlation of biological activity with that of drug-receptor interaction, molecular docking was performed on active site ofglucosamine-6-Phosphate (GlcN-6-P) synthase (PDB ID: 2VF5) which showed good binding profile. Molecular docking studies and Preliminary structure-activity (SAR) relationship revealed that the tryptophan and phenylalanine conjugated quinazolinones with electron donating groups (OH and OCH3) were found to be excellent antimicrobial activities which is better than the glycine and alanine conjugated derivatives. This may be explained by the contribution of aromaticity and hydrophobicity of amino acids. Among the series, compounds 41 and 43 showed the highest docking scores for antimicrobial activity. The conjugation plays a major role in improving the biological activities of those compounds.


Assuntos
Aminoácidos/química , Antibacterianos/farmacologia , Antifúngicos/farmacologia , Bactérias/efeitos dos fármacos , Fungos/efeitos dos fármacos , Quinazolinonas/química , Bases de Schiff/química , Antibacterianos/síntese química , Antifúngicos/síntese química , Simulação de Acoplamento Molecular , Estrutura Molecular , Relação Estrutura-Atividade
14.
Beilstein J Org Chem ; 15: 976-980, 2019.
Artigo em Inglês | MEDLINE | ID: mdl-31164935

RESUMO

A catalyst-free novel and efficient methodology for the challenging synthesis of benzo-oxetes from 2'-hydroxyacetophenones mediated by sulfuryl fluoride (SO2F2) gas has been realized. The combination of 2'-hydroxyacetophenones and SO2F2 furnishes synthetically challenging benzo-oxetanes in moderate to excellent yields. The highlight of this work is the design and synthesis of strained four-membered oxete rings.

15.
Bioorg Chem ; 89: 103015, 2019 08.
Artigo em Inglês | MEDLINE | ID: mdl-31158576

RESUMO

A series of (hetero)arylethenesulfonyl fluorides (1-58) were synthesized and screened for their in vitro antioxidant (DPPH, ABTS and DMPD methods) and anti-inflammatory activities. The results revealed that compounds 4, 15, 16, 24, 25, 26, 38, 39, 40, and 54 exhibited excellent antioxidant activity using all the three performed antioxidant methods, which were superior to the standard antioxidants ascorbic acid and gallic acid. Compounds 6-9, 11, 18, 19, 21, 22, 30, 39, 40, 44, 45, 48-50, 54, 55 and 57 displayed promising anti-inflammatory activity, which were better than the reference drug indomethacin. Preliminary structure-activity relationship (SAR) revealed that compounds containing electron donating (OH and OCH3) groups on the phenyl ring possessed excellent antioxidant properties while compounds containing electron-withdrawing (Cl, NO2, F and Br) groups on the phenyl ring were found to be most potent anti-inflammatory agents. The presence of SO2F group played a crucial role in increases both antioxidant and anti-inflammatory activities.


Assuntos
Anti-Inflamatórios não Esteroides/farmacologia , Etilenos/farmacologia , Depuradores de Radicais Livres/farmacologia , Ácidos Sulfínicos/farmacologia , Anti-Inflamatórios não Esteroides/síntese química , Anti-Inflamatórios não Esteroides/química , Benzotiazóis/antagonistas & inibidores , Compostos de Bifenilo/antagonistas & inibidores , Relação Dose-Resposta a Droga , Eritrócitos/efeitos dos fármacos , Etilenos/síntese química , Etilenos/química , Depuradores de Radicais Livres/síntese química , Depuradores de Radicais Livres/química , Humanos , Estrutura Molecular , Fenilenodiaminas/antagonistas & inibidores , Picratos/antagonistas & inibidores , Relação Estrutura-Atividade , Ácidos Sulfínicos/síntese química , Ácidos Sulfínicos/química , Ácidos Sulfônicos/antagonistas & inibidores
16.
Eur J Med Chem ; 173: 117-153, 2019 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-30995567

RESUMO

At present more than 250 FDA approved chlorine containing drugs were available in the market and many pharmaceutically important drug candidates in pre-clinical trials. Thus, it is quite obvious to expect that in coming decades there will be an even greater number of new chlorine-containing pharmaceuticals in market. Chlorinated compounds represent the family of compounds promising for use in medicinal chemistry. This review describes the recent advances in the synthesis of chlorine containing heterocyclic compounds as diverse biological agents and drugs in the pharmaceutical industries for the inspiration of the discovery and development of more potent and effective chlorinated drugs against numerous death-causing diseases.


Assuntos
Antibacterianos/farmacologia , Antimaláricos/farmacologia , Antineoplásicos/farmacologia , Descoberta de Drogas , Inibidores de Glicosídeo Hidrolases/farmacologia , Hidrocarbonetos Clorados/farmacologia , Animais , Antibacterianos/síntese química , Antibacterianos/química , Antimaláricos/síntese química , Antimaláricos/química , Antineoplásicos/síntese química , Antineoplásicos/química , Inibidores de Glicosídeo Hidrolases/síntese química , Inibidores de Glicosídeo Hidrolases/química , Humanos , Hidrocarbonetos Clorados/síntese química , Hidrocarbonetos Clorados/química , Estrutura Molecular
17.
Bioorg Chem ; 87: 252-264, 2019 06.
Artigo em Inglês | MEDLINE | ID: mdl-30908968

RESUMO

A novel series of amino acids conjugated quinazolinone-Schiff's bases were synthesized and screened for their in vitro anticancer activity and validated by molecular docking and DNA binding studies. In the present investigations, compounds 32, 33, 34, 41, 42 and 43 showed most potent anticancer activity against tested cancer cell lines and DNA binding study using methyl green comparing to doxorubicin and ethidium bromide as a positive control respectively. The structure-activity relationship (SAR) revealed that the tryptophan and phenylalanine derived electron donating groups (OH and OCH3) favored DNA binding studies and anticancer activity whereas; electron withdrawing groups (Cl, NO2, and F) showed least anticancer activity. The molecular docking study, binding interactions of the most active compounds 33, 34, 42 and 43 stacked with A-T rich regions of the DNA minor groove by surface binding interactions were confirmed.


Assuntos
Aminoácidos/farmacologia , Antineoplásicos/farmacologia , DNA de Neoplasias/efeitos dos fármacos , Quinazolinonas/farmacologia , Células A549 , Aminoácidos/química , Antineoplásicos/síntese química , Antineoplásicos/química , Sítios de Ligação/efeitos dos fármacos , Linhagem Celular , Proliferação de Células/efeitos dos fármacos , Relação Dose-Resposta a Droga , Humanos , Células MCF-7 , Simulação de Acoplamento Molecular , Estrutura Molecular , Quinazolinonas/síntese química , Quinazolinonas/química , Relação Estrutura-Atividade
18.
Chem Commun (Camb) ; 55(19): 2845-2848, 2019 Feb 28.
Artigo em Inglês | MEDLINE | ID: mdl-30768105

RESUMO

A novel, simple and practical method for mild, efficient, cost-effective and regioselective synthesis of highly valuable 1,5-diaryl-1,2,3-triazoles was achieved through dehydrative annulation of readily available alcohols with aryl azides. The reaction proceeded at room temperature, without any metal catalysts, exhibiting excellent compatibility to a large variety of functional groups (>50 examples), resulting in up to quantitative yields.

19.
Bioorg Chem ; 86: 513-537, 2019 05.
Artigo em Inglês | MEDLINE | ID: mdl-30782571

RESUMO

Cancer is the second most important cause of death worldwide. There is always a demand for new anticancer drugs and continuously a wide variety of natural and synthetic compounds were developed by the researchers. Nowadays, a large number of drugs in clinical practice were found to have a high incidence of side effect and multidrug conflict. The development of novel less toxic, low cost and very energetic N-methylpicolinamide-bearing hybrids is a hot research topic in the community of medicinal chemistry. Herein we highlight the current advances in the synthesis of picolinamide-containing heterocyclic compounds as potent anticancer agents. In addition, briefly explore their structure-activity relationship studies for the inspiration of the innovation and development of more potent and effective drugs against various death-causing cancer diseases.


Assuntos
Antineoplásicos/uso terapêutico , Neoplasias/tratamento farmacológico , Ácidos Picolínicos/farmacologia , Antineoplásicos/síntese química , Antineoplásicos/química , Sítios de Ligação/efeitos dos fármacos , Relação Dose-Resposta a Droga , Humanos , Micro-Ondas , Estrutura Molecular , Ácidos Picolínicos/síntese química , Ácidos Picolínicos/química , Relação Estrutura-Atividade
20.
Eur J Med Chem ; 164: 448-470, 2019 Feb 15.
Artigo em Inglês | MEDLINE | ID: mdl-30616053

RESUMO

Glycogen Synthase Kinase-3 (GSK-3) is a constitutively dynamic, omnipresent serine/threonine protein kinase regularly called as a "multitasking kinase" due to its pliable function in diverse signaling pathways. It exists in two isoforms i.e., GSK-3α and GSK-3ß. Inhibition of GSK-3 may be useful in curing various diseases such as Alzheimer's disease, type II diabetes, mood disorders, cancers, chronic inflammatory agents, stroke, bipolar disorders and so on, but the approach poses significant challenges. Lithium was the first GSK-3ß inhibitor to be used for therapeutic outcome and has been effectively used for many years. In recent years, a large number of structurally diverse potent GSK-3ß inhibitors are reported. The present review focuses on the recent developments in the area of medicinal chemistry to explore the diverse chemical structures of potent GSK-3ß inhibitors and also describes its structure-activity relationships (SAR) and molecular binding interactions of favorable applicability in various diseases.


Assuntos
Glicogênio Sintase Quinase 3 beta/antagonistas & inibidores , Inibidores de Proteínas Quinases/farmacologia , Humanos , Estrutura Molecular , Ligação Proteica , Inibidores de Proteínas Quinases/química , Inibidores de Proteínas Quinases/uso terapêutico , Relação Estrutura-Atividade
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