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Total 981 results found since Jan 2013.

Molecules, Vol. 27, Pages 8664: Aqueous Rechargeable Zn/ZnO Battery Based on Deposition/Dissolution Chemistry
Hwang Jaekook Kim Recently, a novel electrochemical regulation associated with a deposition/dissolution reaction on an electrode surface has been proven to show superiority in large-scale energy storage systems (ESSs). Hence, in the search for high-performance electrodes showcasing these novel regulations, we utilized a low-cost ZnO microsphere electrode to construct aqueous rechargeable batteries (ARBs) that supplied a harvestable and storable charge through electrochemical deposition/dissolution via a reversible manganese oxidation reaction (MOR)/manganese reduction reaction (MRR), respectively, induced by the inhe...
Source: Molecules - December 7, 2022 Category: Chemistry Authors: Vaiyapuri Soundharrajan Jun Lee Seokhun Kim Dimas Yunianto Putro Seulgi Lee Balaji Sambandam Vinod Mathew Kumaresan Sakthiabirami Jang-Yeon Hwang Jaekook Kim Tags: Article Source Type: research

Molecules, Vol. 27, Pages 8562: Drugs for COVID-19: An Update
Alessia Catalano The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was the seventh known human coronavirus, and it was identified in Wuhan, Hubei province, China, in 2020. It caused the highly contagious disease called coronavirus disease 2019 (COVID-19), declared a global pandemic by the World Health Organization (WHO) on 11 March 2020. A great number of studies in the search of new therapies and vaccines have been carried out in these three long years, producing a series of successes; however, the need for more effective vaccines, therapies and other solutions is still being pursued. This review rep...
Source: Molecules - December 5, 2022 Category: Chemistry Authors: Jessica Ceramella Domenico Iacopetta Maria Stefania Sinicropi Inmaculada Andreu Annaluisa Mariconda Carmela Saturnino Federica Giuzio Pasquale Longo Stefano Aquaro Alessia Catalano Tags: Review Source Type: research

Molecules, Vol. 27, Pages 8502: The Use of Zidovudine Pharmacophore in Multi-Target-Directed Ligands for AIDS Therapy
acedo Bastos The concept of polypharmacology embraces multiple drugs combined in a therapeutic regimen (drug combination or cocktail), fixed dose combinations (FDCs), and a single drug that binds to different targets (multi-target drug). A polypharmacology approach is widely applied in the treatment of acquired immunodeficiency syndrome (AIDS), providing life-saving therapies for millions of people living with HIV. Despite the success in viral load suppression and patient survival of combined antiretroviral therapy (cART), the development of new drugs has become imperative, owing to the emergence of resistant strains a...
Source: Molecules - December 3, 2022 Category: Chemistry Authors: Maria da Concei ção Avelino Dias Bianco Debora Inacio Leite Frederico Silva Castelo Branco Nubia Boechat Elisa Uliassi Maria Laura Bolognesi Monica Macedo Bastos Tags: Review Source Type: research

Molecules, Vol. 27, Pages 8511: Cholinesterases Inhibition, Anticancer and Antioxidant Activity of Novel Benzoxazole and Naphthoxazole Analogs
anna Matysiak Benzoxazole and naphthoxazole fused systems are found in many biologically active molecules. Novel benzoxazole and naphthoxazole analogs functionalized by the 2,4-dihydroxyphenyl moiety were designed, obtained and evaluated as a broad spectrum of biological potency compounds. Sulfinylbis[(2,4-dihydroxyphenyl)methanethione] or its analogs and 2-aminophenols or 1-amino-2-naphthol were used as starting reagents. 4-(Naphtho[1,2-d][1,3]oxazol-2-yl)benzene-1,3-diol was identified as the most promising compound of the nanomolar activity against AChE (IC50 = 58 nM) of the mixed-type inhibition and of the moderate...
Source: Molecules - December 3, 2022 Category: Chemistry Authors: Alicja Skrzypek Monika Karpi ńska Ma łgorzata Juszczak Aneta Grabarska Joanna Wietrzyk El żbieta Krajewska-Kułak Marek Studzi ński Tadeusz Paszko Joanna Matysiak Tags: Article Source Type: research

Molecules, Vol. 27, Pages 8504: Metabolite Profiling of Alocasia gigantea Leaf Extract and Its Potential Anticancer Effect through Autophagy in Hepatocellular Carcinoma
. Ghareeb Hepatocellular carcinoma (HCC) is a poor-prognosis type of cancer with high resistance to chemotherapy, making the search for safe drugs a mandatory issue. Plant-derived products have potential to reduce negative side effects of cancer treatments. In this work, ability of a defatted methanolic extract of Alocasia gigantea leaves to fight HCC was evaluated in an animal model. Overall, treatment of HCC-induced mice with the methanolic extract at 150 mg/kg body weight for four consecutive weeks caused induction of autophagy through silencing of the relative expression of autophagy suppressor (mTOR) and inducemen...
Source: Molecules - December 3, 2022 Category: Chemistry Authors: Hend Okasha Tarek Aboushousha Manuel A. Coimbra Susana M. Cardoso Mosad A. Ghareeb Tags: Article Source Type: research

Molecules, Vol. 27, Pages 8452: Purification and Characterization of Novel Anti-MRSA Peptides Produced by Brevibacillus sp. SPR-20
This study provides promising anti-MRSA peptides that might be developed for effective antibiotics in the post-antibiotic era.
Source: Molecules - December 2, 2022 Category: Chemistry Authors: Nuttapon Songnaka Monthon Lertcanawanichakul Albert M. Hutapea Sucheewin Krobthong Yodying Yingchutrakul Apichart Atipairin Tags: Article Source Type: research

Molecules, Vol. 27, Pages 8485: In Silico Evaluation and In Vitro Determination of Neuroprotective and MAO-B Inhibitory Effects of Pyrrole-Based Hydrazones: A Therapeutic Approach to Parkinson & rsquo;s Disease
Molecules, Vol. 27, Pages 8485: In Silico Evaluation and In Vitro Determination of Neuroprotective and MAO-B Inhibitory Effects of Pyrrole-Based Hydrazones: A Therapeutic Approach to Parkinson’s Disease Molecules doi: 10.3390/molecules27238485 Authors: Magdalena Kondeva-Burdina Emilio Mateev Borislav Angelov Virginia Tzankova Maya Georgieva Parkinson’s disease is a huge burden in modern medicinal practice. A serious drawback of current antiparkinsonian therapy is its symptomatic nature. This directed our investigations in the search for new more potent derivatives, affecting not only...
Source: Molecules - December 2, 2022 Category: Chemistry Authors: Magdalena Kondeva-Burdina Emilio Mateev Borislav Angelov Virginia Tzankova Maya Georgieva Tags: Article Source Type: research

Molecules, Vol. 27, Pages 8411: Design of Conjugates Based on Sesquiterpene Lactones with Polyalkoxybenzenes by & ldquo;Click & rdquo; Chemistry to Create Potential Anticancer Agents
Molecules, Vol. 27, Pages 8411: Design of Conjugates Based on Sesquiterpene Lactones with Polyalkoxybenzenes by “Click” Chemistry to Create Potential Anticancer Agents Molecules doi: 10.3390/molecules27238411 Authors: Margarita E. Neganova Ekaterina V. Smirnova Elena V. Sharova Oleg I. Artyushin Yulia R. Aleksandrova Ekaterina Yu. Yandulova Natalia S. Nikolaeva Valery K. Brel Using the methodology of “click” chemistry, a singular method has been developed for the synthesis of unique conjugates based on sesquiterpene lactones: dehydrocostuslactone and ala...
Source: Molecules - December 1, 2022 Category: Chemistry Authors: Margarita E. Neganova Ekaterina V. Smirnova Elena V. Sharova Oleg I. Artyushin Yulia R. Aleksandrova Ekaterina Yu. Yandulova Natalia S. Nikolaeva Valery K. Brel Tags: Article Source Type: research

Molecules, Vol. 27, Pages 8341: Evolution of Bacterial Cellulose in Cosmetic Applications: An Updated Systematic Review
This study aimed at collecting rigorous information on bacterial cellulose in the cosmetic field in the last decade to produce a systematized review. A comprehensive search was conducted with selected descriptors involving the topic of “bacterial cellulose”, “cosmetics”, “clean beauty”, and “skin mask”. Seventy studies were found, which went through exclusion criteria that selected only those related to the topic that was searched. In the 12 remaining studies that met the criteria, bacterial cellulose showed cond...
Source: Molecules - November 30, 2022 Category: Chemistry Authors: Thais Jardim Oliveira Talita Cristina Mena Segato Gabriel Pereira Machado Denise Grotto Angela Faustino Jozala Tags: Review Source Type: research

Molecules, Vol. 27, Pages 8343: Molecular Hybridization Strategy on the Design, Synthesis, and Structural Characterization of Ferrocene-N-acyl Hydrazones as Immunomodulatory Agents
r Alcides Ellena Rafael Gomes da Silveira Milena Botelho Pereira Soares Immunomodulatory agents are widely used for the treatment of immune-mediated diseases, but the range of side effects of the available drugs makes necessary the search for new immunomodulatory drugs. Here, we investigated the immunomodulatory activity of new ferrocenyl-N-acyl hydrazones derivatives (SintMed(141–156). The evaluated N-acyl hydrazones did not show cytotoxicity at the tested concentrations, presenting CC50 values greater than 50 µM. In addition, all ferrocenyl-N-acyl hydrazones modulated nitrite productio...
Source: Molecules - November 30, 2022 Category: Chemistry Authors: La ís Peres Silva Ivanilson Pimenta Santos Dahara Keyse Carvalho Silva Bruna Padilha Zurita Claro dos Reis C ássio Santana Meira Marcos Ven ícius Batista de Souza Castro Jos é Maurício dos Santos Filho Jo ão Honorato de Araujo-Neto Javier Alcides El Tags: Article Source Type: research

Molecules, Vol. 27, Pages 8282: Computer- and NMR-Aided Design of Small-Molecule Inhibitors of the Hub1 Protein
Ewa Surmiak By binding to the spliceosomal protein Snu66, the human ubiquitin-like protein Hub1 is a modulator of the spliceosome performance and facilitates alternative splicing. Small molecules that bind to Hub1 would be of interest to study the protein-protein interaction of Hub1/Snu66, which is linked to several human pathologies, such as hypercholesterolemia, premature aging, neurodegenerative diseases, and cancer. To identify small molecule ligands for Hub1, we used the interface analysis, peptide modeling of the Hub1/Snu66 interaction and the fragment-based NMR screening. Fragment-based NMR screening has not p...
Source: Molecules - November 28, 2022 Category: Chemistry Authors: Atilio Reyes Romero Katarzyna Kubica Radoslaw Kitel Ismael Rodr íguez Katarzyna Magiera-Mularz Alexander D ömling Tad A. Holak Ewa Surmiak Tags: Article Source Type: research

Molecules, Vol. 27, Pages 8263: Lupane Triterpene Derivatives Improve Antiproliferative Effect on Leukemia Cells through Apoptosis Induction
Moo-Puc Leukemia is one of the most frequent types of cancer. No effective treatment currently exists, driving a search for new compounds. Simple structural modifications were made to novel triterpenes isolated from Phoradendron wattii. Of the three resulting derivatives, 3α-methoxy-24-hydroxylup-20(29)-en-28-oic acid (T1m) caused a decrease in the median inhibitory concentration (IC50) on the K562 cell line. Its mode of action was apparently apoptosis, ROS generation, and loss of mitochondrial membrane potential (MMP). Molecular docking analysis showed T1m to produce lower binding energies than its prec...
Source: Molecules - November 26, 2022 Category: Chemistry Authors: L ía S. Valencia-Chan Neptis Estrada-Alfaro Jimmy Josu é Ceballos-Cruz Luis W. Torres-Tapia Sergio R. Peraza-S ánchez Rosa E. Moo-Puc Tags: Article Source Type: research

Molecules, Vol. 27, Pages 8251: Insights into the Dynamics and Binding of Two Polyprotein Substrate Cleavage Points in the Context of the SARS-CoV-2 Main and Papain-like Proteases
obb It is well known that vital enzymes in the replication process of the coronavirus are the SARS-CoV-2 PLpro and SARS-CoV-2 3CLpro, both of which are important targets in the search for anti-coronavirus agents. These two enzymes are responsible for cleavage at various polyprotein sites in the SARS-CoV-2 lifecycle. Herein, the dynamics of the polyprotein cleavage sequences for the boundary between non-structural proteins Nsp1 and Nsp2 (CS1) and between Nsp2 and Nsp3 (CS2) in complex with both the papain-like protein PLpro and the main protease 3CLpro were explored using computational methods. The post dynamics analysi...
Source: Molecules - November 26, 2022 Category: Chemistry Authors: Zainab Kemi Sanusi Kevin Alan Lobb Tags: Article Source Type: research

Molecules, Vol. 27, Pages 8236: Pharmacophore Mapping Combined with dbCICA Reveal New Structural Features for the Development of Novel Ligands Targeting & alpha;4 & beta;2 and & alpha;7 Nicotinic Acetylcholine Receptors
Molecules, Vol. 27, Pages 8236: Pharmacophore Mapping Combined with dbCICA Reveal New Structural Features for the Development of Novel Ligands Targeting α4β2 and α7 Nicotinic Acetylcholine Receptors Molecules doi: 10.3390/molecules27238236 Authors: Victor S. Batista Adriano Marques Gonçalves Nailton M. Nascimento-Júnior The neuronal nicotinic acetylcholine receptors (nAChRs) belong to the ligand-gated ion channel (GLIC) group, presenting a crucial role in several biological processes and neuronal disorders. The α4β2 and α7 nAChRs are the mo...
Source: Molecules - November 25, 2022 Category: Chemistry Authors: Victor S. Batista Adriano Marques Gon çalves Nailton M. Nascimento-J únior Tags: Article Source Type: research

Molecules, Vol. 27, Pages 8210: Plant Spices as a Source of Antimicrobial Synergic Molecules to Treat Bacterial and Viral Co-Infections
hi The COVID-19 pandemic exposed the lack of antiviral agents available for human use, while the complexity of the physiological changes caused by coronavirus (SARS-CoV-2) imposed the prescription of multidrug pharmacotherapy to treat infected patients. In a significant number of cases, it was necessary to add antibiotics to the prescription to decrease the risk of co-infections, preventing the worsening of the patient’s condition. However, the precautionary use of antibiotics corroborated to increase bacterial resistance. Since the development of vaccines for COVID-19, the pandemic scenario has changed, ...
Source: Molecules - November 25, 2022 Category: Chemistry Authors: Nath ália Barroso Almeida Duarte Jacqueline Aparecida Takahashi Tags: Review Source Type: research