4.7 Review

An insight into medicinal chemistry of anticancer quinoxalines

期刊

BIOORGANIC & MEDICINAL CHEMISTRY
卷 27, 期 1, 页码 16-35

出版社

PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmc.2018.11.021

关键词

Quinoxalines; Anticancer; Structure activity relationship; Pharmacokinetics; Toxicity

资金

  1. Department of Sciences and Technology
  2. ICMR

向作者/读者索取更多资源

Quinoxalines are benzopyrazines containing benzene and pyrazine rings fused together. In the recent past, quinoxalines have attracted Medicinal Chemists considerably for their syntheses and chemistry due to their distinct pharmacological activities. Diverse synthetic protocols have been developed via multicomponent reactions, single pot synthesis and combinatorial approach using efficient catalysts, reagents, and nano-composites etc. Further, the versatility of the quinoxaline core and its reasonable chemical simplicity devise it extremely promising source of bioactive compounds. Therefore, a wide variety of bioactive quinoxalines has been realised as antitumour, antifungal, anti-inflammatory, antimicrobial, and antiviral agents. Already, a few of them are clinical drugs while many more are under various phases of clinical trials. Present review focuses on chemistry and pharmacology (both efficacy and safety) of quinoxalines and also provides some insight in to their structure-activity relationship.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.7
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

Article Biochemistry & Molecular Biology

Designing of inhibitors against CTX-M-15 type beta-lactamase: potential drug candidate against -lactamases-producing multi-drug-resistant bacteria

Abid Ali, Danishuddin, Lubna Maryam, Gaurava Srivastava, Ashok Sharma, Asad U. Khan

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2018)

Article Biochemistry & Molecular Biology

Comparative Study of Withanolide Biosynthesis-Related miRNAs in Root and Leaf Tissues of Withania somnifera

Swati Srivastava, Sanchita, Ruchi Singh, Gaurava Srivastava, Ashok Sharma

APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY (2018)

Article Biochemistry & Molecular Biology

Molecular insight into multiple RpoB clinical mutants of Mycobacterium tuberculosis: An attempt to probe structural variations in rifampicin binding site underlying drug resistance

Gaurava Srivastava, Shubhandra Tripathi, Akhil Kumar, Ashok Sharma

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2018)

Article Biochemistry & Molecular Biology

Molecular and computational approaches to understand resistance of New Delhi metallo -lactamase variants (NDM-1, NDM-4, NDM-5, NDM-6, NDM-7)-producing strains against carbapenems

Abid Ali, Divya Gupta, Gaurava Srivastava, Ashok Sharma, Asad U. Khan

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2019)

Article Biochemistry & Molecular Biology

Docking, molecular dynamics, binding energy-MM-PBSA studies of naphthofuran derivatives to identify potential dual inhibitors against BACE-1 and GSK-3

Akhil Kumar, Gaurava Srivastava, Arvind S. Negi, Ashok Sharma

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2019)

Article Biochemistry & Molecular Biology

Insight into microtubule destabilization mechanism of 3,4,5-trimethoxyphenyl indanone derivatives using molecular dynamics simulation and conformational modes analysis

Shubhandra Tripathi, Gaurava Srivastava, Aastha Singh, A. P. Prakasham, Arvind S. Negi, Ashok Sharma

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2018)

Review Chemistry, Medicinal

Screening of Anti-mycobacterial Phytochemical Compounds for Potential Inhibitors against Mycobacterium tuberculosis Isocitrate Lyase

Ashish Tiwari, Akhil Kumar, Gaurava Srivastava, Ashok Sharma

CURRENT TOPICS IN MEDICINAL CHEMISTRY (2019)

Article Biochemistry & Molecular Biology

Molecular investigation against the resistant mechanism of PncA mutated pyrazinamide resistance and insight into the role of pH environment for pyrazinamide activation

Gaurava Srivastava, M. P. Darokar, Ashok Sharma

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2020)

Article Biochemistry & Molecular Biology

lncRNADetector: a bioinformatics pipeline for long non-coding RNA identification and MAPslnc: a repository of medicinal and aromatic plant lncRNAs

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.

RNA BIOLOGY (2021)

Article Chemistry, Multidisciplinary

Identification of novel inhibitors targeting TIRAP interactions with BTK and PKC delta in inflammation through an in silico approach

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

An in-silico insight into the predictive interaction of Apolipoprotein-E with Epstein-Barr virus proteins and their probable role in mediating Alzheimer's disease

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

Density functional studies and spectroscopic analysis (FT-IR, FT-Raman, UV-visible, and NMR) with molecular docking approach on an anticancer and antifungal drug 4-hydroxy-3-methoxybenzaldehyde

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

Neohesperidin and spike RBD interaction in omicron and its sub-variants: In silico, structural and simulation studies

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)

暂无数据