Article
Biochemistry & Molecular Biology
Na Zhang, Wei Xu, Yushu Yan, Mengjie Chen, Hua Li, Lixia Chen
Summary: This review summarizes the research on cembrane diterpenoids from 2011 to 2022, classifying them into different types and summarizing their biological activity and structure-activity relationship. It provides guidance for the development of new cembrane-type diterpenes as potential drugs for cancer and inflammatory diseases.
Review
Biochemistry & Molecular Biology
Licia T. S. Pina, Mairim R. Serafini, Marlange A. Oliveira, Laeza A. Sampaio, Juliana O. Guimaraes, Adriana G. Guimaraes
Summary: This study reviews the pharmacological activities of carvone in experimental models in vitro and in vivo, and finds that it has multiple pharmacological activities, such as antimicrobial, antispasmodic, anti-inflammatory, antioxidant, analgesic, and anticonvulsant effects. However, most studies have a risk of bias, highlighting the need for further research on the mechanisms of action and safety of carvone.
Article
Multidisciplinary Sciences
Fabiana Russo, Maria Angela Vandelli, Giuseppe Biagini, Martin Schmid, Livio Luongo, Michela Perrone, Federica Ricciardi, Sabatino Maione, Aldo Lagana, Anna Laura Capriotti, Alfonso Gallo, Luigi Carbone, Elisabetta Perrone, Giuseppe Gigli, Giuseppe Cannazza, Cinzia Citti
Summary: Cannabis has both therapeutic properties and controversial psychotropic activities, with CB1 endocannabinoid receptors playing a role. The main psychotropic component is & UDelta;9-THC, while its isomer CBD has different pharmacological properties. Semi-synthetic derivatives of CBD are added to cannabis products to produce similar effects to & UDelta;9-THC. Synthetic strategies were explored to obtain the active epimer of HHC, and a chromatographic method was used to identify and quantify phytocannabinoids and HHC epimers in commercial cannabis samples.
SCIENTIFIC REPORTS
(2023)
Article
Multidisciplinary Sciences
Susan Matthew, Qi-Yin Chen, Ranjala Ratnayake, Charles S. Fermaintt, Daniel Lucena-Agell, Francesca Bonato, Andrea E. Prota, Seok Ting Lim, Xiaomeng Wang, J. Fernando Diaz, April L. Risinger, Valerie J. Paul, Maria Angela Oliva, Hendrik Luesch
Summary: Research has identified a novel microtubule-destabilizing cyclodepsipeptide, gatorbulin-1 (GB1), produced by a marine cyanobacterium, which binds to a seventh binding site at the tubulin intradimer interface. Through multidimensional characterization and validation, the unique chemical and mechanistic novelty of GB1 has been elucidated, paving the way for new antitumoral pharmacological approaches.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Review
Infectious Diseases
Zhenxin Wang, Xilong Feng, Chengwei Liu, Jinming Gao, Jianzhao Qi
Summary: The Inonotus hispidus mushroom is a popular edible and medicinal mushroom with significant anticancer and immunomodulatory activities. This review classifies and summarizes the secondary metabolites derived from I. hispidus and their activities, and also investigates the biosynthetic pathway of a specific compound. The findings contribute to our understanding of I. hispidus and have implications for natural product chemistry and pharmacology research.
Review
Pharmacology & Pharmacy
Yiwei Chen, Xiang Wang, Dongmei Ye, Zhousheng Yang, Qingrong Shen, Xiaoxia Liu, Chunxia Chen, Xiaoyu Chen
Summary: This review summarizes the pharmacological research and mechanisms of sophoridine, a bioactive alkaloid found in Sophora alopecuroides. It has a wide range of pharmacological effects, including anti-tumor, anti-inflammatory, antiviral, antibacterial, analgesic, cardioprotective, and immunoprotective activities. Sophora flavescens Aiton, which contains sophoridine, is a bitter and cold traditional Chinese medicine with heat clearing, dampness eliminating, and insect expelling effects.
FRONTIERS IN PHARMACOLOGY
(2023)
Article
Chemistry, Physical
Tom Vermeyen, Andrea N. L. Batista, Alessandra L. Valverde, Wouter Herrebout, Joao M. Batista Jr
Summary: Vibrational circular dichroism (VCD) is a powerful technique for assessing the stereochemistry of chiral molecules. The need for quantum chemical calculations has limited its use by non-experts. In this study, we propose a method using visual inspection and machine learning to search for and validate IR and VCD spectral markers, allowing for absolute configuration assignments in complex mixtures without DFT calculations. Monoterpene mixtures are used as a proof-of-concept.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Biochemistry & Molecular Biology
Olga Tchaikovskaya, Elena Bocharnikova, Olga Bazyl, Vlada Chaidonova, George Mayer, Paul Avramov
Summary: This study investigates the spectral properties of aqueous solutions of sulfaguanidine, in which complex formation with a hydrogen bond and a protonated form occurs. The fluorescent state of sulfaguanidine is interpreted using computational chemistry, the electronic absorption method, and the luminescence method. The impact of different active fragments in sulfaguanidine on physiological activity and luminescent ability is also examined.
Review
Pharmacology & Pharmacy
Arya Tjipta Prananda, Aminah Dalimunthe, Urip Harahap, Yogi Simanjuntak, Epina Peronika, Natasya Elsa Karosekali, Poppy Anjelisa Zaitun Hasibuan, Rony Abdi Syahputra, Putri Cahaya Situmorang, Fahrul Nurkolis
Summary: Phyllanthus emblica Linn, a member of the euphorbiaceae family, is widely distributed in tropical and subtropical nations. Its fruits are enriched with bioactive constituents that offer a diverse array of health-promoting attributes, including antioxidant and cardioprotective properties.
FRONTIERS IN PHARMACOLOGY
(2023)
Article
Biochemistry & Molecular Biology
Stephanie Lee, Jonathan Sperry
Summary: This review discusses the structure and bioactivity of alkaloids that contain an eight-membered N-heterocycle, and their sources of origin.
BIOORGANIC & MEDICINAL CHEMISTRY
(2022)
Article
Virology
Sorour Karimi, Mahnaz Mahdavi Shahri
Summary: The study successfully synthesized silver nanoparticles using plant extract and demonstrated their potential applications in antimicrobial and cytotoxicity activities. The green synthesized silver nanoparticles showed remarkable antimicrobial activity against bacteria and fungus, as well as low cytotoxicity.
JOURNAL OF MEDICAL VIROLOGY
(2021)
Review
Chemistry, Medicinal
Chao Wang, Siyuan Wang, Haonan Li, Yonglian Hou, Hao Cao, Huiming Hua, Dahong Li
Summary: Fascaplysin is a planar structure pentacyclic alkaloid isolated from sponges, which effectively induces the apoptosis of cancer cells. It has diverse biological activities, such as antibacterial, anti-tumor, anti-plasmodium, etc. However, the planar structure of fascaplysin can be inserted into DNA, limiting its further application and requiring structural modification.
Article
Plant Sciences
Leandro Ferrini, Juan Pablo Rodriguez, Juan Pablo Melana Colavita, Gabriela Olea, Gonzalo Adrian Ojeda, Gabriela Ricciardi, Ana Maria Torres, Maria Victoria Aguirre
Summary: The ethanolic extract of Nectandra angustifolia has a high content of flavonoids and possesses antioxidant and anti-inflammatory properties as demonstrated by multiparametric analyses from in vitro assays and an in vivo model of inflammation.
JOURNAL OF ETHNOPHARMACOLOGY
(2021)
Article
Chemistry, Organic
Tohru Kamitanaka, Yusuke Tsunoda, Yuriko Fujita, Toshifumi Dohi, Yasuyuki Kita
Summary: The synthesis of 2-oxygenated dihydrobenzofurans via [3 + 2] coupling of quinone monoacetals with vinyl ethers has been achieved using tetrabutylammonium triflate catalysis. This new method involves activating the acetal moiety in quinone monoacetals under acid-free conditions to obtain highly oxygenated dihydrobenzofurans, with triflate anion catalyst stabilizing the cationic intermediate.
Article
Plant Sciences
Jesus G. Zorrilla, Carlos Rial, Rosa M. Varela, Jose M. G. Molinillo, Francisco A. Macias
Summary: Strigolactones (SLs) have potential applications as agrochemicals to prevent infestation with parasitic weeds due to their ability to trigger seed germination. However, their use is limited due to low yields from natural sources. Different analogues of SLs have been synthesized and shown to have enhanced bioactivity. This review provides an overview of SLs synthesis, focusing on analogues with canonical structure. The germinating activity of these compounds has positive effects on problematic weed species. The highly active analogue, GR24, is extensively studied and structural-activity relationships have been proposed.
PHYTOCHEMISTRY REVIEWS
(2022)
Review
Biochemistry & Molecular Biology
Ramasamy Thilagavathi, Sridhar Priyankha, Manivel Kannan, Muthuramalingam Prakash, Chelliah Selvam
Summary: Triple-negative breast cancer (TNBC) is an aggressive and heterogeneous disease caused by genetic mutations or overexpression. Chemotherapy and immunotherapy are common treatments, but the response rates are still low. Natural compounds derived from plants show promising inhibitory effects on TNBC, with advantages such as low toxicity and easy accessibility, making them important for the development of effective anti-tumor therapies.
CHEMICAL BIOLOGY & DRUG DESIGN
(2023)
Article
Chemistry, Physical
Kandhan Palanisamy, K. Rudharachari Maiyelvaganan, Shanmugasundaram Kamalakannan, Ramasamy Thilagavathi, Chelliah Selvam, Muthuramalingam Prakash
Summary: This study identified several compounds as potential drug targets for inhibiting SARS-CoV-2-related diseases, and these compounds exhibited potential drug-like properties and stability. Among them, asarinin was found to be the most effective inhibitor and may serve as a potent antiviral agent.
MOLECULAR SIMULATION
(2023)
Article
Biochemistry & Molecular Biology
S. M. Esther Rubavathy, Kandhan Palanisamy, S. Priyankha, Ramasamy Thilagavathi, Muthuramalingam Prakash, Chelliah Selvam
Summary: In this study, HDAC8 inhibitors with high affinity and good ADMET characteristics were screened from a natural product database. Through molecular docking, molecular dynamics, and MM-PBSA analysis, it was found that these compounds have strong binding affinity and are more effective than romidepsin. These findings may contribute to further development of HDAC8 inhibitors.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Environmental Sciences
Manivel Kannan, Ramasamy Thilagavathi, Chelliah Selvam
Summary: This study synthesized a curcumin benzothiazole analogue and evaluated its antioxidant properties, in vitro anticancer activity, and in vivo toxicity. The results showed that the analogue exhibited strong antioxidant activity and the highest cytotoxic activity against MDA MB 231 breast cancer cells. The substance was found to be safe up to levels of 300 mg/kg in albino wistar rats.
TOXICOLOGY AND ENVIRONMENTAL HEALTH SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Sridhar Priyankha, Varatharaj Rajapandian, Kandhan Palanisamy, S. M. Esther Rubavathy, Ramasamy Thilagavathi, Chelliah Selvam, Muthuramalingam Prakash
Summary: Triple-negative breast cancer (TNBC) is an aggressive and heterogeneous disease caused by missing certain receptors. In this study, researchers screened natural products and identified six hit compounds with strong binding affinity towards the protein PARP-1, which is involved in the development of TNBC. Molecular dynamics simulations and calculations showed that two of these compounds had stronger binding energies with PARP-1 than an FDA-approved PARPi. The study offers valuable insights for the potential use of PARPi in TNBC treatment, and the findings were validated through comparison with an FDA-approved PARPi.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Review
Pharmacology & Pharmacy
Kumararaja Gayathri, Mahendran Bhaskaran, Chelliah Selvam, Ramasamy Thilagavathi
Summary: Curcumin, derived from the rhizomes of Curcuma longa Linn, has been extensively studied for its potential in treating various diseases. However, its inadequate intake and low aqueous solubility have posed challenges. To overcome these challenges, nanotechnology has been used to improve the absorption, solubility, and bioavailability of curcumin. Nano formulations of curcumin have shown promise in overcoming the limitations of traditional curcumin-based medications.
JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY
(2023)
Review
Chemistry, Medicinal
Ramasamy Thilagavathi, S. Sameema Begum, Sowfika Dharshini Varatharaj, Arun Kumar Balasubramaniam, Joselin Susan George, Chelliah Selvam
Summary: Liver problems are a global concern and conventional therapies are ineffective. Protecting the liver is crucial for good health. Infections, immune issues, cancer, alcohol abuse, and drug overdose can cause liver diseases. Antioxidants from plants and dietary sources can protect the liver from oxidative stress and chemicals. Plant-derived compounds such as flavonoids, alkaloids, terpenoids, polyphenolics, sterols, anthocyanins, and saponin glycosides show hepatoprotective potential. More research is needed to develop safer and more potent phytochemical drugs for treating liver diseases.
PHYTOTHERAPY RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Manokaran Malini, Ramasamy Thilagavathi, Sanjeev Kumar Singh, Arun Pravin, Chelliah Selvam
Summary: Glucokinase Activators (GKA) are small molecules that can bind to GK allosterically and effectively reduce plasma blood glucose levels, making them a potential therapeutic target for treating type 2 diabetes (T2D). In this study, a structure-based virtual screening was conducted on compounds from the Universal Natural Product Database (UNPD), resulting in the identification of four potential GKA small molecules. These compounds were found to interact strongly with specific active site residues of GK and satisfy drug-likeness criteria. Molecular dynamics simulation further confirmed the stability of the enzyme-small molecule complexes. Overall, this study provides valuable insights for identifying novel small molecules as GKAs.
Article
Chemistry, Physical
Manokaran Malini, Ramasamy Thilagavathi, Jannet Vennila, Beutline Malgija, Gandhi Praveena, Chelliah Selvam
Summary: This study used Fast Rigid Exhaustive Docking (FRED) method to screen compounds from the Zinc database with potential for activating insulin secretion. Molecular dynamics simulation and calculation found that these compounds have good stability and potential, and may become new glucokinase activators.
MOLECULAR SIMULATION
(2023)
Article
Chemistry, Medicinal
Shuang Mei, Su Jiang, Yuting Wang, Han Jing, Peng Yang, Miao-Miao Niu, Jindong Li, Kai Yuan, Yan Zhang
Summary: This study identifies a dual-targeting peptide, AP-1, that effectively inhibits variants of concern (VOCs) of SARS-CoV-2 without impairing host cell viability. The findings suggest that AP-1 could be a promising broad-spectrum agent for treating emerging VOCs of SARS-CoV-2.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Hyeonjun Lee, Ju Yeon Lee, Hyunsoo Jang, Hye Young Cho, Minhee Kang, Sang Hyun Bae, Suin Kim, Eunji Kim, Jaebong Jang, Jin Young Kim, Young Ho Jeon
Summary: By using liquid chromatography-tandem mass spectrometry and nuclear magnetic resonance experiments, we identified new chemical moieties that bind to the target sites of the protein of interest, allowing for reversible binding and protein degradation. This method has the potential to expand the application of PROTAC technology.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Yingying Li, Xiyou Du, Xinru Kong, Yuelin Fang, Zhijing He, Dongzhu Liu, Hang Wu, Jianbo Ji, Xiaoye Yang, Lei Ye, Guangxi Zhai
Summary: This study proposes a novel nanoplatform based on the autophagy cascade to overcome the obstacles in chemo-immunotherapy. The platform combines chemotherapy and starvation therapy to initiate pro-death autophagy and enhance antigen presentation, while also remodeling the immunosuppressive tumor microenvironment. Furthermore, the study discovers a new therapeutic direction for the respiration inhibitor 3-bromopyruvic acid (3BP) in cancer treatment. Overall, this study offers an opportunity to improve antitumor efficacy and boost immune responses.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Bingsi Wang, Mingxu Ma, Yusen Dai, Pengfei Yu, Liang Ye, Wenyan Wang, Chunjie Sha, Huijie Yang, Yingjie Yang, Yunjing Zhu, Lin Dong, Shujuan Wei, Linlin Wang, Jingwei Tian, Hongbo Wang
Summary: Breast cancer is a common malignant tumor in women, and drug resistance remains a clinical challenge. In this study, a novel compound, G-5b, was developed with potent antagonistic and degradation activities comparable to the current drug fulvestrant. G-5b also showed improved stability and solubility. Mechanistically, G-5b engages the proteasome pathway to degrade ER, inhibiting the ER signaling pathway and inducing apoptosis and cell cycle arrest. In animal models, G-5b exhibited superior pharmacokinetics and pharmacodynamics properties. Overall, G-5b is a promising long-acting SERD worthy of further investigation and optimization.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Karoline B. Waitman, Larissa C. de Almeida, Marina C. Primi, Jorge A. E. G. Carlos, Claudia Ruiz, Thales Kronenberger, Stefan Laufer, Marcia Ines Goettert, Antti Poso, Sandra V. Vassiliades, Vinicius A. M. de Souza, Monica F. Z. J. Toledo, Neuza M. A. Hassimotto, Michael D. Cameron, Thomas D. Bannister, Leticia Costa-Lotufo, Joa o A. Machado-Neto, Mauricio T. Tavares, Roberto Parise-Filho
Summary: A series of hybrid inhibitors combining pharmacophores of known kinase inhibitors and benzohydroxamate HDAC inhibitors were synthesized and evaluated for their anticancer activity and pharmacokinetic properties. Compounds 4d-f exhibited promising cytotoxicity against hematological cells and moderate activity against solid tumor models. Compound 4d showed potent inhibition of multiple kinase targets and had stable interactions with HDAC and members of the JAK family. These compounds showed selective cytotoxicity with minimal effects on non-tumorigenic cells and favorable pharmacokinetic profiles.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Michal Sulik, Diana Fontinha, Dietmar Steverding, Szymon Sobczak, Michal Antoszczak, Miguel Prudencio, Adam Huczynski
Summary: This study describes the synthesis of the first-in-class ivermectin derivatives obtained through derivatization of the C13 position, along with the unexpected rearrangement of the macrolide ring. These derivatives show potential for antiparasitic activity and are important for the development of new antiparasitic agents.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Jun Liu, Qiu-Xian Chen, Wen-Fu Wu, Dong Wang, Si -Yu Zhao, Jia-Hao Li, Yi-Qun Chang, Shao-Gao Zeng, Jia-Yi Hu, Yu-Jie Li, Jia-Xin Du, Shu-Meng Jiao, Hai-Chuan Xiao, Qiang Zhang, Jun Xu, Jian-Fu Zhao, Hai -Bo Zhou, Yong-Heng Wang, Jian Zou, Ping-Hua Sun
Summary: A new anti-infective drug strategy has been discovered to attenuate virulence and modulate inflammation caused by drug-resistant Pseudomonas aeruginosa infections. Compound 5f inhibits biofilm formation, macrophage migration, and inflammatory response induced by P. aeruginosa, showing potential as a novel candidate against drug-resistant infections.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Liuzeng Chen, Ke Wang, Lingyun Wang, Wei Wang, Lifan Wang, Jia Li, Xiaohan Liu, Mengya Wang, Banfeng Ruan
Summary: In this study, a series of novel anti-inflammatory compounds were designed and synthesized based on the natural product pterostilbene skeleton. Among them, compound 8 showed the highest activity and exhibited its effects through inhibition of pro-inflammatory cytokines by blocking the NF-KB/MAPK signaling pathway. Compound 8 also demonstrated a good relieving effect on acute colitis in mice and showed good safety in acute toxicity experiments.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Si-Min Liang, Gui-Bin Liang, Hui-Ling Wang, Hong Jiang, Xian-Li Ma, Jian-Hua Wei, Ri-Zhen Huang, Ye Zhang
Summary: A series of novel multi-target antitumor agents were designed, synthesized, and evaluated. Some compounds exhibited significant antitumor activity and one compound showed excellent efficacy, limited toxicity, and low resistance. Further mechanism studies revealed that the compound exerted antitumor effects through multiple pathways.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
