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Molecules, Volume 27, Issue 6

2022 March-2 - 284 articles

Cover Story: Vitamins D are a group of fat-soluble secosteroids which play a regulatory role in the functioning of most cells. Rational design of new vitamin D analogs of increased therapeutic potency and lowered calcemic side effects requires high-resolution initial structures and a deep understanding of interactions with the vitamin D receptor. In this paper, using quantum crystallography methods, we present the first determination of the experimental quantitative charge density of an advanced intermediate of vitamin D analogues as well as a reconstruction of the theoretical electron density of final vitamin D analogues. Application of these methods allows for topological and electrostatic interaction energy analysis which is  important for understanding biological effects. View this paper
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Articles (284)

  • Feature Paper
  • Article
  • Open Access
7 Citations
3,677 Views
19 Pages

18 March 2022

The notion of a contribution of a specific group in an organic molecule’s property and/or activity is both common in our thinking and is still not strictly correct due to the inherent non-additivity of free energy with respect to molecular frag...

  • Article
  • Open Access
8 Citations
2,507 Views
10 Pages

18 March 2022

In the present study, we confirmed that α-asaronol, which is a product of the active metabolites of alpha Asarone, did not affect n-butylphthalide efficacy when n-butylphthalide and α-asaronol were co-administered to rats with cerebral is...

  • Review
  • Open Access
60 Citations
11,616 Views
22 Pages

A Recent Ten-Year Perspective: Bile Acid Metabolism and Signaling

  • Yulia Shulpekova,
  • Elena Shirokova,
  • Maria Zharkova,
  • Pyotr Tkachenko,
  • Igor Tikhonov,
  • Alexander Stepanov,
  • Alexandra Sinitsyna,
  • Alexander Izotov,
  • Tatyana Butkova and
  • Vladimir Ivashkin
  • + 4 authors

18 March 2022

Bile acids are important physiological agents required for the absorption, distribution, metabolism, and excretion of nutrients. In addition, bile acids act as sensors of intestinal contents, which are determined by the change in the spectrum of bile...

  • Article
  • Open Access
30 Citations
6,206 Views
14 Pages

New Insights on Acanthus ebracteatus Vahl: UPLC-ESI-QTOF-MS Profile, Antioxidant, Antimicrobial and Anticancer Activities

  • Opeyemi Joshua Olatunji,
  • Oladipupo Odunayo Olatunde,
  • Titilope John Jayeoye,
  • Sudarshan Singh,
  • Sirinporn Nalinbenjapun,
  • Sasikarn Sripetthong,
  • Warangkana Chunglok and
  • Chitchamai Ovatlarnporn

18 March 2022

This study investigated the antioxidant, antimicrobial, anticancer, and phytochemical profiling of extracts from the leaves and stem/root of Acanthus ebracteatus (AE). The total phenolic content (TPC), total flavonoid content (TFC), 2,2-diphenyl-1-pi...

  • Article
  • Open Access
10 Citations
2,831 Views
16 Pages

18 March 2022

Fruit of Saskatoon (Amelanchier alnifolia Nutt.) are a good source of bioactive compounds, such as polyphenols, including anthocyanins, as well as vitamins, macro- and microelements and fibre. By treating Saskatoon fruits with gaseous ozone, and addi...

  • Article
  • Open Access
18 Citations
3,715 Views
17 Pages

Metabonomics Analysis of Stem Extracts from Dalbergia sissoo

  • Mengxue Li,
  • Mengying Liu,
  • Bingyi Wang and
  • Lei Shi

18 March 2022

Dalbergia sissoo is a woody plant with economic and medicinal value. As the pharmacological qualities and properties of the wood from this plant primarily depend on its extractives, in this study, the metabolomic analysis of extractives from its stem...

  • Article
  • Open Access
3 Citations
4,040 Views
11 Pages

18 March 2022

This work presents a palladium-catalyzed oxime ether-directed ortho-selective benzoylation using benzoylformic acid as the acyl source with a palladium catalyst and 4CzIPN as the co-catalyst under light. Various non-symmetric benzophenone derivatives...

  • Article
  • Open Access
3 Citations
1,988 Views
11 Pages

Characterization of the Phenolic Profile and Antioxidant Activity of Cathissa reverchonii (Lange) Speta

  • Eulogio J. Llorent-Martínez,
  • Ana I. Gordo-Moreno,
  • María Luisa Fernández-de Córdova,
  • Carlos Salazar-Mendías and
  • Amanda Tercero-Araque

18 March 2022

Cathissa reverchonii (formerly Ornithogalum reverchonii) is a threatened species, constituting an endemism present in the south of Spain and northern Morocco. In Spain, it is only found in two disjoint populations in the region of Andalusia. The dete...

  • Article
  • Open Access
10 Citations
3,820 Views
13 Pages

Garcinia Biflavonoid 1 Improves Lipid Metabolism in HepG2 Cells via Regulating PPARα

  • Hai-Xin Chen,
  • Fan Yang,
  • Xin-Qian He,
  • Ting Li,
  • Yong-Zhi Sun,
  • Jian-Ping Song,
  • Xin-An Huang and
  • Wen-Feng Guo

18 March 2022

Garcinia biflavonoid 1 (GB1) is one of the active chemical components of Garcinia kola and is reported to be capable of reducing the intracellular lipid deposition, which is the most significant characteristic of non-alcoholic fatty liver disease. Ho...

  • Article
  • Open Access
57 Citations
10,689 Views
15 Pages

Development of an LC-MS/MS Method for ARV-110, a PROTAC Molecule, and Applications to Pharmacokinetic Studies

  • Thi-Thao-Linh Nguyen,
  • Jin Woo Kim,
  • Hae-In Choi,
  • Han-Joo Maeng and
  • Tae-Sung Koo

18 March 2022

ARV-110, a novel proteolysis-targeting chimera (PROTAC), has been reported to show satisfactory safety and tolerability for prostate cancer therapy in phase I clinical trials. However, there is a lack of bioanalytical assays for ARV-110 determination...

  • Review
  • Open Access
12 Citations
3,529 Views
11 Pages

A Novel Cognition of Decitabine: Insights into Immunomodulation and Antiviral Effects

  • Ji Xiao,
  • Ping Liu,
  • Yiliang Wang,
  • Yexuan Zhu,
  • Qiongzhen Zeng,
  • Xiao Hu,
  • Zhe Ren and
  • Yifei Wang

18 March 2022

DNA methylation, as one of the major means of epigenesis change, makes a large difference in the spatial structure of chromatin, transposable element activity and, fundamentally, gene transcription. It has been confirmed that DNA methylation is close...

  • Article
  • Open Access
12 Citations
3,647 Views
11 Pages

18 March 2022

In hydrolysis and electro-oxidation of the borohydride anion BH4, key reactions in the field of energy, one critical short-living intermediate is BH3OH. When water was used as both solvent and reactant, only BH3OH is detected by...

  • Article
  • Open Access
24 Citations
4,346 Views
16 Pages

Antimicrobial and Cytotoxic Activity of Novel Imidazolium-Based Ionic Liquids

  • Łukasz Pałkowski,
  • Maciej Karolak,
  • Andrzej Skrzypczak,
  • Marta Wojcieszak,
  • Filip Walkiewicz,
  • Jonasz Podemski,
  • Karol Jaroch,
  • Barbara Bojko,
  • Katarzyna Materna and
  • Jerzy Krysiński

18 March 2022

In this study, a series of 10 novel 1-methyl-3-octyloxymethylimidazolium derivatives carrying various anionic moieties (4-hydroxybenzenesulfonate, benzenesulfonate, carvacroloxyacetate, chloride, formate, propionate, thymoloxyacetate, vanillinoxyacet...

  • Article
  • Open Access
14 Citations
3,423 Views
16 Pages

In Vitro Bioaccessibility of Bioactive Compounds from Rosehip-Enriched Corn Extrudates

  • Marta Igual,
  • Adriana Păucean,
  • Dan Cristian Vodnar,
  • Purificación García-Segovia,
  • Javier Martínez-Monzó and
  • Maria Simona Chiş

18 March 2022

The rosehip (Rosa canina L.) fruit has gained researchers′ attention due to its rich chemical composition in vitamin C, phenols, carotenoids, and high antioxidant activity; meanwhile, polymers such as pea protein are generally recognized as exh...

  • Article
  • Open Access
7 Citations
3,402 Views
16 Pages

Anti-Neuroinflammatory Components from Clausena lenis Drake

  • Si-Si Zhu,
  • Yi-Fan Zhang,
  • Meng Ding,
  • Ke-Wu Zeng,
  • Peng-Fei Tu and
  • Yong Jiang

18 March 2022

Clausena lenis Drake (C. lenis) is a folk medicinal herb to treat influenza, colds, bronchitis, and malaria. The 95% and 50% ethanol extract of C. lenis showed significant nitric oxide (NO) inhibition activity in BV-2 microglial cells stimulated by l...

  • Article
  • Open Access
7 Citations
3,236 Views
21 Pages

18 March 2022

Three benzoxanthone derivatives were synthesized through a new photochemical strategy. The in vitro cytotoxic activity of these compounds was evaluated by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay, and their partition c...

  • Article
  • Open Access
24 Citations
3,784 Views
12 Pages

New Generation of MOF-Monoliths Based on Metal Foams

  • José J. Delgado-Marín,
  • Dennis P. Izan,
  • Miguel Molina-Sabio,
  • Enrique V. Ramos-Fernandez and
  • Javier Narciso

18 March 2022

Herein, it has been developed a method to prepare metallic foams starting from Zamak5 (ZnAlCu alloy) with different pore sizes. The Zamak5 metallic foam is designed to serve as a support and metallic precursor of ZIF-8. In this way, composite materia...

  • Correction
  • Open Access
3 Citations
1,886 Views
6 Pages

Correction: Tanguturi et al. Discovery of Novel Delta Opioid Receptor (DOR) Inverse Agonist and Irreversible (Non-Competitive) Antagonists. Molecules 2021, 26, 6693

  • Parthasaradhireddy Tanguturi,
  • Vibha Pathak,
  • Sixue Zhang,
  • Omar Moukha-Chafiq,
  • Corinne E. Augelli-Szafran and
  • John M. Streicher

18 March 2022

There was an error in the original publication [...]

  • Article
  • Open Access
23 Citations
3,213 Views
17 Pages

18 March 2022

Aphid, Aphis craccivora Koch (Hemiptera: Aphididae), is a major sap-sucking insect pest of leguminous crops and also transmits plant viruses, leading to economic yield loss. Indiscriminate and repeated use of insecticides for control of aphid leads t...

  • Review
  • Open Access
15 Citations
5,679 Views
26 Pages

18 March 2022

Hydroxypyridinones (HPs) are recognized as excellent chemical tools for engineering a diversity of metal chelating agents, with high affinity for hard metal ions, exhibiting a broad range of activities and applications, namely in medical, biological...

  • Article
  • Open Access
22 Citations
3,124 Views
22 Pages

Innovative Green Chemistry Approach to Synthesis of Sn2+-Metal Complex and Design of Polymer Composites with Small Optical Band Gaps

  • Shujahadeen B. Aziz,
  • Muaffaq M. Nofal,
  • Mohamad A. Brza,
  • Niyaz M. Sadiq,
  • Elham M. A. Dannoun,
  • Khayal K. Ahmed,
  • Sameerah I. Al-Saeedi,
  • Sarkawt A. Hussen and
  • Ahang M. Hussein

18 March 2022

In this work, the green method was used to synthesize Sn2+-metal complex by polyphenols (PPHs) of black tea (BT). The formation of Sn2+-PPHs metal complex was confirmed through UV-Vis and FTIR methods. The FTIR method shows that BT contains NH and OH...

  • Article
  • Open Access
20 Citations
3,732 Views
10 Pages

Identification of Biomarker Volatile Organic Compounds Released by Three Stored-Grain Insect Pests in Wheat

  • Lijun Cai,
  • Sarina Macfadyen,
  • Baozhen Hua,
  • Haochuan Zhang,
  • Wei Xu and
  • Yonglin Ren

17 March 2022

Monitoring and early detection of stored-grain insect infestation is essential to implement timely and effective pest management decisions to protect stored grains. We report a reliable analytical procedure based on headspace solid-phase microextract...

  • Article
  • Open Access
26 Citations
4,937 Views
17 Pages

Comparative Studies on Essential Oil and Phenolic Content with In Vitro Antioxidant, Anticholinesterase, Antimicrobial Activities of Achillea biebersteinii Afan. and A. millefolium subsp. millefolium Afan. L. Growing in Eastern Turkey

  • Gizem Gülsoy Toplan,
  • Turgut Taşkın,
  • Gökalp İşcan,
  • Fatih Göger,
  • Mine Kürkçüoğlu,
  • Ayşe Civaş,
  • Gülay Ecevit-Genç,
  • Afife Mat and
  • Kemal Hüsnü Can Başer

17 March 2022

The potential applications of Achillea species in various industries have encouraged the examination of their phytochemical components along with their biological potential. In the present study, phenolic contents and essential oil compositions toget...

  • Article
  • Open Access
24 Citations
3,456 Views
12 Pages

17 March 2022

Increasing evidence indicates that nobiletin (NOB) is a promising neuroprotective agent. Astrocyte activation plays a key role in neurodegenerative disorders. Thus, this study aims to investigate the effects of NOB on astrocyte activation and the pot...

  • Article
  • Open Access
18 Citations
3,499 Views
18 Pages

Hydrogen-Bond-Assisted Diels–Alder Kinetics or Self-Healing in Reversible Polymer Networks? A Combined Experimental and Theoretical Study

  • Jessica Mangialetto,
  • Kiano Gorissen,
  • Lise Vermeersch,
  • Bruno Van Mele,
  • Niko Van den Brande and
  • Freija De Vleeschouwer

17 March 2022

Diels–Alder (DA) cycloadditions in reversible polymer networks are important for designing sustainable materials with self-healing properties. In this study, the DA kinetics of hydroxyl-substituted bis- and tetrafunctional furans with bis- and...

  • Article
  • Open Access
9 Citations
3,244 Views
14 Pages

Experimental Investigation of the Biofunctional Properties of Nickel–Titanium Alloys Depending on the Type of Production

  • Minja Miličić Lazić,
  • Peter Majerič,
  • Vojkan Lazić,
  • Jelena Milašin,
  • Milica Jakšić,
  • Dijana Trišić and
  • Katarina Radović

17 March 2022

Nickel–titanium alloys used in dentistry have a variety of mechanical, chemical, and biofunctional properties that are dependent on the manufacturing process. The aim of this study was to compare the mechanical and biofunctional performances of...

  • Article
  • Open Access
1 Citations
2,920 Views
17 Pages

Enhancement of the Modulation Response of Quantum-Dot-Based Down-Converted Light through Surface Plasmon Coupling

  • Shaobo Yang,
  • Po-Yu Chen,
  • Chia-Chun Ni,
  • Jun-Chen Chen,
  • Zong-Han Li,
  • Yang Kuo,
  • Chih-Chung Yang,
  • Ta-Cheng Hsu and
  • Chi-Ling Lee

17 March 2022

In this paper, we first elaborate on the effects of surface plasmon (SP) coupling on the modulation responses of the emission of a light-emitting diode (LED) and its down-converted lights through colloidal quantum dots (QDs). The results of our past...

  • Article
  • Open Access
6 Citations
2,411 Views
12 Pages

Comparison of the Content of Several Elements in Seawater, Sea Cucumber Eupentacta fraudatrix and Its High-Molecular-Mass Multiprotein Complex

  • Natalia P. Zaksas,
  • Anna M. Timofeeva,
  • Pavel S. Dmitrenok,
  • Svetlana E. Soboleva and
  • Georgy Nevinsky

17 March 2022

Metal ions and other elements play many different critical roles in all biological processes. They can be especially important in high concentrations for the functioning of organisms living in seawater. It is important to understand how much the conc...

  • Article
  • Open Access
4 Citations
2,747 Views
17 Pages

Interaction of the Fungal Metabolite Harzianic Acid with Rare-Earth Cations (La3+, Nd3+, Sm3+, Gd3+)

  • Gaetano De Tommaso,
  • Maria Michela Salvatore,
  • Antonietta Siciliano,
  • Alessia Staropoli,
  • Francesco Vinale,
  • Rosario Nicoletti,
  • Marina DellaGreca,
  • Marco Guida,
  • Francesco Salvatore and
  • Anna Andolfi
  • + 1 author

17 March 2022

Rare-earth elements are emerging contaminants of soil and water bodies which destiny in the environment and effects on organisms is modulated by their interactions with natural ligands produced by bacteria, fungi and plants. Within this framework, co...

  • Review
  • Open Access
48 Citations
12,772 Views
21 Pages

Relationship between Immune Cells, Depression, Stress, and Psoriasis: Could the Use of Natural Products Be Helpful?

  • Alessio Alesci,
  • Eugenia Rita Lauriano,
  • Angelo Fumia,
  • Natasha Irrera,
  • Enza Mastrantonio,
  • Mario Vaccaro,
  • Sebastiano Gangemi,
  • Antonello Santini,
  • Nicola Cicero and
  • Simona Pergolizzi

17 March 2022

Psoriasis is one of the most widespread chronic inflammatory skin diseases, affecting about 2%–3% of the worldwide adult population. The pathogenesis of this disease is quite complex, but an interaction between genetic and environmental factors...

  • Article
  • Open Access
8 Citations
3,249 Views
21 Pages

Silver Nanowires and Silanes in Hybrid Functionalization of Aramid Fabrics

  • Alicja Nejman,
  • Anna Baranowska-Korczyc,
  • Katarzyna Ranoszek-Soliwoda,
  • Izabela Jasińska,
  • Grzegorz Celichowski and
  • Małgorzata Cieślak

17 March 2022

New functionalization methods of meta- and para-aramid fabrics with silver nanowires (AgNWs) and two silanes (3-aminopropyltriethoxysilane (APTES)) and diethoxydimethylsilane (DEDMS) were developed: a one-step method (mixture) with AgNWs dispersed in...

  • Article
  • Open Access
6 Citations
4,355 Views
14 Pages

17 March 2022

Resveratrol is a powerful antioxidant that defends against oxidative stress in cells but is not found in large quantities in plants. Resveratrol-enriched rice DJ526, which was developed as a functional crop, shows a diverse range of biological activi...

  • Article
  • Open Access
4 Citations
2,487 Views
30 Pages

Modelling Protein Plasticity: The Example of Frataxin and Its Variants

  • Simone Botticelli,
  • Giovanni La Penna,
  • Germano Nobili,
  • Giancarlo Rossi,
  • Francesco Stellato and
  • Silvia Morante

17 March 2022

Frataxin (FXN) is a protein involved in storage and delivery of iron in the mitochondria. Single-point mutations in the FXN gene lead to reduced production of functional frataxin, with the consequent dyshomeostasis of iron. FXN variants are at the ba...

  • Article
  • Open Access
8 Citations
3,594 Views
12 Pages

17 March 2022

Quantitation of chromophore-free analytes is always a challenge. To this purpose, derivatization of the analyte constitutes a common strategy, leading to a product with a strong signal. In the current study, a novel xanthone analogue was utilized for...

  • Article
  • Open Access
8 Citations
4,691 Views
12 Pages

17 March 2022

A new derivatization high-performance liquid chromatography method with ultraviolet detection was developed and validated for the quantitative analysis of methanesulfonate genotoxic impurities in an innovative drug for the treatment of non-alcoholic...

  • Article
  • Open Access
9 Citations
2,685 Views
15 Pages

17 March 2022

Our experiment determined the immunotropic activity of a natural, iridoid-anthocyanin extract from honeysuckle berry (Lonicera caerulea L.) (LC). The extract was administered to mice infected with Trichinella spiralis, orally at a dose of 2 g/kg bw,...

  • Review
  • Open Access
38 Citations
9,769 Views
20 Pages

General Health Benefits and Pharmacological Activities of Triticum aestivum L.

  • Said Moshawih,
  • Rabi’atul Nur Amalia Abdullah Juperi,
  • Ganesh Sritheran Paneerselvam,
  • Long Chiau Ming,
  • Kai Bin Liew,
  • Bey Hing Goh,
  • Yaser Mohammed Al-Worafi,
  • Chee-Yan Choo,
  • Shobna Thuraisingam and
  • Nurolaini Kifli
  • + 1 author

17 March 2022

Common wheat (Triticum aestivum), one of the world’s most consumed cereal grains, is known for its uses in baking and cooking in addition to its medicinal uses. As this plant’s medical benefits are enormous and scattered, this narrative r...

  • Review
  • Open Access
3 Citations
5,381 Views
17 Pages

17 March 2022

This article discusses the importance of D-xylose for fighting viruses (especially SARS-CoV-2) that use core proteins as receptors at the cell surface, by providing additional supporting facts that these viruses probably bind at HS/CS attachment site...

  • Review
  • Open Access
75 Citations
11,568 Views
29 Pages

Modification of Lipid-Based Nanoparticles: An Efficient Delivery System for Nucleic Acid-Based Immunotherapy

  • Chi Zhang,
  • Yifan Ma,
  • Jingjing Zhang,
  • Jimmy Chun-Tien Kuo,
  • Zhongkun Zhang,
  • Haotian Xie,
  • Jing Zhu and
  • Tongzheng Liu

17 March 2022

Lipid-based nanoparticles (LBNPs) are biocompatible and biodegradable vesicles that are considered to be one of the most efficient drug delivery platforms. Due to the prominent advantages, such as long circulation time, slow drug release, reduced tox...

  • Article
  • Open Access
1 Citations
2,093 Views
12 Pages

17 March 2022

We use computational materials methods to study the sequential appearance of zinc-based zeolitic imidazolate frameworks (ZIFs) generated in the mechanochemical conversion process. We consider nine ZIF topologies, namely RHO, ANA, QTZ, SOD, KAT, DIA,...

  • Communication
  • Open Access
5 Citations
4,455 Views
14 Pages

Evaluation of Vetiver Volatile Compound Production under Aeroponic-Grown Conditions for the Perfume Industry

  • Carole Gavira,
  • Françoise Watteau,
  • Jean-Marc Lainé,
  • Frédéric Bourgaud and
  • Laurent Legendre

17 March 2022

Vetiver (Chrysopogon zizanioides (L.) Roberty) is a major tropical perfume crop. Access to its essential oil (EO)-filled roots is nevertheless cumbersome and land-damaging. This study, therefore, evaluated the potential of vetiver cultivation under s...

  • Article
  • Open Access
16 Citations
5,512 Views
18 Pages

Silica Meets Tannic Acid: Designing Green Nanoplatforms for Environment Preservation

  • Fabiana Tescione,
  • Olimpia Tammaro,
  • Aurelio Bifulco,
  • Giovanni Del Monaco,
  • Serena Esposito,
  • Michele Pansini,
  • Brigida Silvestri and
  • Aniello Costantini

17 March 2022

Hybrid tannic acid-silica-based porous nanoparticles, TA-SiO2 NPs, have been synthesized under mild conditions in the presence of green and renewable tannic acid biopolymer, a glycoside polymer of gallic acid present in a large part of plants. Tannic...

  • Article
  • Open Access
13 Citations
3,596 Views
17 Pages

Comparative Analysis of Microbial Consortiums and Nanoparticles for Rehabilitating Petroleum Waste Contaminated Soils

  • Shehla Sattar,
  • Samina Siddiqui,
  • Asim Shahzad,
  • Asghari Bano,
  • Muhammad Naeem,
  • Rahib Hussain,
  • Naeem Khan,
  • Basit Latief Jan and
  • Humaira Yasmin

17 March 2022

Nano-bioremediation application is an ecologically and environmentally friendly technique to overcome the catastrophic situation in soil because of petroleum waste contamination. We evaluated the efficiency of oil-degrading bacterial consortium and s...

  • Article
  • Open Access
7 Citations
3,666 Views
14 Pages

17 March 2022

Curcumin-loaded native and succinylated pea protein nanoparticles, as well as zwitterionic giant unilamellar vesicles were used in this study as model bioactive compound loaded-nanoparticles and biomembranes, respectively, to assess bio-nano interact...

  • Feature Paper
  • Article
  • Open Access
29 Citations
7,388 Views
14 Pages

Anti-Inflammatory Activity of Bryophytes Extracts in LPS-Stimulated RAW264.7 Murine Macrophages

  • Raíssa Volpatto Marques,
  • Stefania Enza Sestito,
  • Frédéric Bourgaud,
  • Sissi Miguel,
  • Frédéric Cailotto,
  • Pascal Reboul,
  • Jean-Yves Jouzeau,
  • Sophie Rahuel-Clermont,
  • Sandrine Boschi-Muller and
  • David Moulin
  • + 1 author

17 March 2022

Bryophytes produce rare and bioactive compounds with a broad range of therapeutic potential, and many species are reported in ethnomedicinal uses. However, only a few studies have investigated their potential as natural anti-inflammatory drug candida...

  • Article
  • Open Access
22 Citations
4,699 Views
10 Pages

17 March 2022

Beta adrenoblockers are a large class of drugs used to treat cardiovascular diseases, migraines, glaucoma and hyperthyroidism. Over the last couple of decades, the anticancer effects of these compounds have been extensively studied. However, the exac...

  • Article
  • Open Access
51 Citations
4,496 Views
19 Pages

17 March 2022

(1) Background: The control of mosquitoes with essential oils is a growing demand. (2) Methods: This study evaluated the novel larvicidal and adulticidal activity of fennel and green tea oils and their nanostructured lipid carriers (NLC) against Cule...

  • Article
  • Open Access
5 Citations
3,993 Views
15 Pages

Analysis of Conformational Preferences in Caffeine

  • Sara Gómez,
  • Natalia Rojas-Valencia and
  • Albeiro Restrepo

17 March 2022

High level DLPNO–CCSD(T) electronic structure calculations with extended basis sets over B3LYP–D3 optimized geometries indicate that the three methyl groups in caffeine overcome steric hindrance to adopt uncommon conformations, each one p...

  • Article
  • Open Access
1 Citations
3,969 Views
24 Pages

A Comprehensive Computational Investigation into the Conserved Virulent Proteins of Shigella species Unveils Potential Small-Interfering RNA Candidates as a New Therapeutic Strategy against Shigellosis

  • Parag Palit,
  • Farhana Tasnim Chowdhury,
  • Namrata Baruah,
  • Bonoshree Sarkar,
  • Sadia Noor Mou,
  • Mehnaz Kamal,
  • Towfida Jahan Siddiqua,
  • Zannatun Noor and
  • Tahmeed Ahmed

17 March 2022

Shigella species account for the second-leading cause of deaths due to diarrheal diseases among children of less than 5 years of age. The emergence of multi-drug-resistant Shigella isolates and the lack of availability of Shigella vaccines have led t...

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Molecules - ISSN 1420-3049