Article
Chemistry, Medicinal
Mingfeng Yu, Theodosia Teo, Yuchao Yang, Manjun Li, Yi Long, Stephen Philip, Benjamin Noll, Gary K. Heinemann, Sarah Diab, Preethi Eldi, Laychiluh Mekonnen, Abel T. Anshabo, Muhammed H. Rahaman, Robert Milne, John D. Hayball, Shudong Wang
Summary: CDK8 plays a crucial role in transcriptional regulation and its dysregulation is associated with various types of cancer. Inhibition of CDK8 with compound 38 showed potent anti-proliferative effects on acute myeloid leukaemia cells without systemic toxicity in preclinical studies. Further research on compound 38 as an anticancer agent is warranted.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Food Science & Technology
Ningyang Li, Chaofan Wang, Milen I. Georgiev, Vivek K. Bajpai, Rosa Tundis, Jesus Simal-Gandara, Xiaoming Lu, Jianbo Xiao, Xiaozhen Tang, Xuguang Qiao
Summary: Polysaccharides as anticancer agents have great potential for application, but their complex structure and unclear mechanism of action have hindered their research and clinical application.
TRENDS IN FOOD SCIENCE & TECHNOLOGY
(2021)
Review
Chemistry, Medicinal
Zhen Wang, Yongxia Xiong, Ying Peng, Xi Zhang, Shuang Li, Yan Peng, Xue Peng, Linsheng Zhuo, Weifan Jiang
Summary: Natural product evodiamine (Evo) is a potential drug lead with multifunctional pharmacological properties, however, its suboptimal biological activity and poor pharmacokinetics hinder its clinical application. Medicinal chemists have successfully produced synthetic analogs to overcome these deficiencies and enhance its anticancer activities. This review focuses on the structural basis, anti-cancer activities, and mechanisms of Evo and its derivatives, providing insights into optimizing strategies for the development of novel anticancer drugs.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Review
Chemistry, Medicinal
Hezhen Wang, Zhiyuan Wang, Chunyong Wei, Jing Wang, Yingshu Xu, Guohui Bai, Qizheng Yao, Lei Zhang, Yongzheng Chen
Summary: Indirubin is a crucial ingredient in Chinese traditional medicine for treating leukemia. Despite its attractive anticancer profile, limitations like low water solubility and poor pharmacokinetic properties have hindered its clinical application. Researchers are exploring novel derivatives of indirubin with improved pharmacological profiles for cancer treatment.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Review
Medicine, Research & Experimental
Cheng Wang, Shu Dai, Xingtao Zhao, Yafang Zhang, Lihong Gong, Ke Fu, Cheng Ma, Cheng Peng, Yunxia Li
Summary: This review comprehensively summarizes the molecular mechanisms of the anticancer effects of celastrol, a pentacyclic triterpenoid extracted from Tripterygium wilfordii Hook F. It has been found to exhibit significant broad-spectrum anticancer activities by inhibiting tumor cell proliferation, migration and invasion, inducing cell apoptosis, suppressing autophagy, hindering angiogenesis, and inhibiting tumor metastasis. Various signaling pathways have been identified as important molecular targets for its anticancer effects. However, celastrol also has adverse effects, low oral bioavailability, and a narrow therapeutic window, which present challenges for its development as an anticancer drug.
BIOMEDICINE & PHARMACOTHERAPY
(2023)
Review
Chemistry, Medicinal
Aeyaz Ahmad Bhat, Iqubal Singh, Nitin Tandon, Runjhun Tandon
Summary: Pyrrolidine molecules are important for their diverse pharmacological activities and have significant anticancer activity. Synthetic derivatives of pyrrolidine, such as spirooxindole, thiazole, metal complexes, and coumarin, have been developed to have potent anticancer activity with minimal side effects. These molecules have demonstrated an incredible ability to regulate various targets and have promising anticancer activity against multiple cancer cell lines. The review also highlights the effectiveness of derivatives through the elucidation of Structural-Activity-Relationship (SAR).
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Medicinal
Biao Xu, Zhi-Peng Wang, Qingwang Liu, Xiaohong Yang, Xuemin Li, Ding Huang, Yanfei Qiu, Kin Yip Tam, Shao-Lin Zhang, Yun He
Summary: This study reported a series of novel dichloroacetophenones as potent PDKs inhibitors, with compound 6u showing significant anti-proliferative effects on various cancer cells. In mouse models, 6u demonstrated potent antitumor activity without negative impact on body weight. The compound was also found to induce cancer cell apoptosis, arrest cell cycle progression, inhibit cell migration, and alter glucose metabolic pathways in cancer cells, showing potential as a modulator for reprogramming glycolysis in cancer cells.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Review
Chemistry, Medicinal
Tanya Prasad, Aastha Mahapatra, Tripti Sharma, Chita R. Sahoo, Rabindra Nath Padhy
Summary: Cancer is a serious disease without a sustainable solution. The search for better cancer treatments has led to the development and study of new scaffolds, such as Dihydropyrimidinones (DHPMs), which are known for their versatile range of biological activities. This review summarizes the structure-activity relationship of DHPMs as potential anticancer agents, including their synthesis, mechanism of action, and the interlinked mechanisms leading to their anticancer activity.
ARCHIV DER PHARMAZIE
(2023)
Review
Biochemistry & Molecular Biology
Jacek Szczepanski, Helena Tuszewska, Nazar Trotsko
Summary: Rhodanine is a well-known privileged heterocycle in medicinal chemistry with diverse biological activities, including anticancer properties. This review focuses on analyzing the anticancer features of rhodanines described in scientific literature over the past decade, discussing the structure-activity relationship of rhodanine derivatives and potential molecular targets.
Article
Chemistry, Medicinal
Wan-Li Tan, Chun Zhang, Yang Li, Kai Guo, Xiao-Wei Gao, Jun Wei, Dong Yi, Lin Pu, Qin Wang
Summary: In this study, 40 optically active falcarindiol analogues were synthesized and their anticancer activities on various cell lines were evaluated. The results indicated that the falcarindiol analogue (3R,8S)-2 i with a terminal double bond exhibited the most potent anti-proliferation effect on Hccc-9810 cells, inducing apoptosis through increased LDH release and MDA content, and decreased SOD activity, leading to oxidative stress accumulation.
Review
Biochemistry & Molecular Biology
Parteek Prasher, Rabab Fatima, Mousmee Sharma, Bekzat Tynybekov, Asma M. Alshahrani, Dilek Arslan Atessahin, Javad Sharifi-Rad, Daniela Calina
Summary: Lignans, such as honokiol, are plant-derived polyphenolic compounds with small size and hydrophobicity that enable them to interact with proteins in cell membranes. Honokiol, isolated from the genus Magnolia, shows potential as an anticancer agent due to its high bioavailability and ability to regulate signaling pathways associated with oncogenesis, inhibit cell cycle, and prevent metastasis. It also exhibits properties that overcome the bioavailability drawbacks of many contemporary anticancer drugs.
CHEMICO-BIOLOGICAL INTERACTIONS
(2023)
Review
Oncology
Joviana Farhat, Lara Alzyoud, Mohammad Alwahsh, Basem Al-Omari
Summary: This review highlights the contribution of benzofuran derivatives as anticancer agents and analyzes the impact of chemical structure on their activity. Benzofuran derivatives have potential advantages in cancer treatment and also show pharmacological activities in other diseases.
Article
Chemistry, Physical
Abraham Osiris Martinez-Olivo, Victor Manuel Zamora-Gasga, Luis Medina-Torres, Alejandro Perez-Larios, Sonia Guadalupe Sayago-Ayerdi, Jorge Alberto Sanchez-Burgos
Summary: The health benefits provided by plant matrices are attributed to certain compounds that have been shown to have biological activity in vitro and in vivo. These compounds, which have been identified and studied, can be enhanced through structural chemical modifications or incorporation into polymer matrices. This review discusses the extraction of bioactive compounds from plant sources, their functionalization through double emulsions and nanoemulsions, toxicity, and pharmacokinetic aspects of encapsulation systems.
ADVANCES IN COLLOID AND INTERFACE SCIENCE
(2023)
Article
Agriculture, Multidisciplinary
Jingjing Qian, Lin Zheng, Yijun Zhao, Mouming Zhao
Summary: YPVEPF, an outstanding sleep-enhancing peptide derived from casein, shows instability against gastrointestinal enzymes but can be detected in vivo with strong sleep-enhancing effects. The N-terminus Tyr plays a dominant role in YPVEPF.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2022)
Article
Pharmacology & Pharmacy
Simona Braccini, Giorgia Rizzi, Lorenzo Biancalana, Alessandro Pratesi, Stefano Zacchini, Guido Pampaloni, Federica Chiellini, Fabio Marchetti
Summary: A series of novel diiron complexes were synthesized and evaluated for their anticancer activity, showing potent cytotoxicity against cancer cell lines with remarkable selectivity and good performance in inhibiting cell proliferation. Additionally, these complexes were capable of inducing significant ROS production and had the potential to inhibit the enzyme thioredoxin reductase.
Article
Biochemistry & Molecular Biology
Abid Ali, Danishuddin, Lubna Maryam, Gaurava Srivastava, Ashok Sharma, Asad U. Khan
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2018)
Article
Biochemistry & Molecular Biology
Swati Srivastava, Sanchita, Ruchi Singh, Gaurava Srivastava, Ashok Sharma
APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY
(2018)
Article
Biochemistry & Molecular Biology
Gaurava Srivastava, Shubhandra Tripathi, Akhil Kumar, Ashok Sharma
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2018)
Article
Biochemistry & Molecular Biology
Abid Ali, Divya Gupta, Gaurava Srivastava, Ashok Sharma, Asad U. Khan
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2019)
Article
Biochemistry & Molecular Biology
Akhil Kumar, Gaurava Srivastava, Arvind S. Negi, Ashok Sharma
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2019)
Article
Biochemistry & Molecular Biology
Shubhandra Tripathi, Gaurava Srivastava, Aastha Singh, A. P. Prakasham, Arvind S. Negi, Ashok Sharma
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
(2018)
Review
Chemistry, Medicinal
Ashish Tiwari, Akhil Kumar, Gaurava Srivastava, Ashok Sharma
CURRENT TOPICS IN MEDICINAL CHEMISTRY
(2019)
Article
Biochemistry & Molecular Biology
Gaurava Srivastava, M. P. Darokar, Ashok Sharma
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2020)
Article
Biochemistry & Molecular Biology
Bhaskar Shukla, Sanchita Gupta, Gaurava Srivastava, Ashok Sharma, Ashutosh K. Shukla, Ajit K. Shasany
Summary: Long non-coding RNAs (lncRNAs) are a class of non-coding RNAs longer than 200 nucleotides, with diverse biological functions and regulatory mechanisms. There is a substantial amount of lncRNAs within the plant genome that are yet to be identified.
Article
Chemistry, Multidisciplinary
S. Rajpoot, G. Srivastava, M. Siddiqi, U. Saqib, S. P. Parihar, N. Hirani, M. S. Baig
Summary: The use of advanced computational tools focusing on protein-protein interaction (PPI) has enabled the acceleration of drug development for small lead molecules and repurposed drugs. In this study, we investigated the interactions between Toll/interleukin-1 receptor (TIR) domain-containing adapter protein (TIRAP) and other proteins involved in macrophage signaling, specifically Bruton's tyrosine kinase (BTK) and Protein Kinase C delta (PKC delta). Through homology-based structural models and multiple docking tools, we identified FDA-approved drugs that have the potential to dampen downstream inflammatory signaling and inflammation-mediated diseases.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH
(2022)
Article
Biochemistry & Molecular Biology
Deeksha Tiwari, Gaurava Srivastava, Omkar Indari, Vijay Tripathi, Mohammad Imran Siddiqi, Hem Chandra Jha
Summary: Recent reports suggest that persistent Epstein-Barr virus infection could lead to the formation of proteinaceous plaques in the brain, a hallmark of Alzheimer's disease. The apolipoprotein E (ApoE), a major genetic risk factor for AD, may also affect the outcome of EBV infection. This study investigates the interactions between ApoE and various EBV proteins, and finds possible stable interactions between the C-terminal domain of ApoE3 and EBV proteins EBNA1 and BZLF1. These interactions may interfere with the clearance of amyloid fragments from the brain, contributing to the development of AD.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Physical
Ghazala Khanum, Anuj Kumar, Meenakshi Singh, Aysha Fatima, S. Muthu, Khamael M. Abualnaja, Khaled Althubeiti, Gaurava Srivastava, Nazia Siddiqui, Saleem Javed
Summary: The compound 4-hydroxy-3-methoxybenzaldehyde was comprehensively studied using quantum chemical calculations, surface analysis, and experimental techniques. The results showed that the compound exhibited good stability and reactivity, and it may have anticancer, antioxidant, and antibacterial activities.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Biology
Jaikee Kumar Singh, Saumya Dubey, Gaurava Srivastava, Mohammad Imran Siddiqi, Sandeep Kumar Srivastava
Summary: COVID-19, caused by SARS-CoV-2, first emerged in Wuhan, China in December 2019. Since then, different variants of the virus have emerged. The recent emergence of the omicron variant and its sub-variants BA.1, BA.2, and BA.3 has shown a high infection rate and the ability to evade host immune defenses. In this study, the affinity of 80 drugs/compounds against omicron and its variants was evaluated using in silico docking calculations, and it was found that neohesperidin, a natural flavonoid, showed a stable interaction with the spike receptor domain of omicron and BA.2 compared to other variants. These findings could be important for developing specific therapeutic strategies against these novel variants.
COMPUTERS IN BIOLOGY AND MEDICINE
(2023)
Article
Biology
Akhil Kumar, Gaurava Srivastava, Ashok Sharma
COMPUTATIONAL BIOLOGY AND CHEMISTRY
(2017)