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Exploring Structural Requirement of Curcumin-Based CK2 Inhibitors as Anticancer Agents: 3D-QSAR, Pharmacophore Modeling, Virtual Screening, and Molecular Docking
Authors: Firdous Fatima, Priyanshu Nema, Anushka Garhwal and Sushil Kumar KashawAvailable online: 17 March 2025More LessIntroduction Casein Kinase 2 (CK2), discovered as one of the earliest protein kinases, is a ubiquitous Ser/Thr protein kinase-specific to acidic environments. CK2 has been implicated in regulating diverse cellular processes and has been linked to the onset of various diseases, including cancer. Method Consequently, modulating CK2 function has emerged as a potential therapeutic strategy. However, currently, available Read More
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Bioactive Compounds from Myrica esculenta: Antioxidant Insights and Docking Studies on H+K+-ATPase and H2 Receptor Targets
Authors: Rashmi Pathak and Phool ChandraAvailable online: 04 February 2025More LessBackground Myrica esculenta (Myricaceae) are common in the Indian Himalayas. Traditional medicine uses it to treat chronic bronchitis, inflammation, stomach ulcers, anaemia, diarrhoea, asthma, and ear, throat, and nose disorders. Its varied medicinal benefits are recognised in the ayurvedic pharmacopoeia. Aim Isolation of Bioactive Compounds from M. esculenta: Assessment of Antioxidant Activity and Molecular D Read More
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Integrating Machine Learning and Pharmacophore Features for Enhanced Prediction of H1 Receptor Blockers
Authors: Zaid Anis Sherwani, Mohammad Nur-e-Alam, Aftab Ahmed and Zaheer Ul-HaqAvailable online: 27 January 2025More LessIntroduction Histamine Type I Receptor Antagonists (H1 blockers) are widely used to mitigate histamine-induced inflammation, particularly in allergic reactions. Histamine, a biogenic amine found in endothelial cells, vascular smooth muscle, bronchial smooth muscle, and the hypothalamus, is a key player in these responses. H1 blockers are essential in cough syrups and flu medications and are divided into two Read More
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Effective Synthesis of Dopamine Dimer
Authors: Zhou Dejun, Zhang Yuying, Liu Xiaoyue and Zheng HuachuanAvailable online: 23 January 2025More LessBackground Dopamine (1) is a commonly used vasopressor, primarily employed to treat various types of shock, congestive heart failure, and acute renal failure. Dopamine dimer (2) is an impurity generated during the production process of dopamine raw materials or the metabolism of dopamine drugs themselves. Methods This article presents an effective method for synthesizing dopamine dimer through the condensat Read More
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A Comprehensive Review: Synthesis and Pharmacological Activities of 1,3,4-Oxadiazole Hybrid Scaffolds
Authors: Suman Lata, Lucky Choudhary, Ankita Bharwal, Amit Pandit and Vikrant AbbotAvailable online: 23 January 2025More LessIntroduction Heterocyclic derivatives, particularly those containing heteroatoms such as oxygen and nitrogen, represent a significant portion of currently marketed drugs. Among these, the aromatic heterocycle 1,3,4-oxadiazole, characterized by an N=C=O-linkage, stands out due to its remarkable biological activities. These activities include anti-inflammatory, anti-cancer, antioxidant, anti-tubercular, antiviral, anti-diabet Read More
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Exploring 1-Azaaurones: A Concise Overview of Synthetic Strategies and Biological Activities
Authors: Naveen Chauhan and Suresh KumarAvailable online: 23 January 2025More LessAzaaurones are formed by the replacement of intra-cyclic oxygen of the central core of a five-membered furan ring or any other carbon of aurones by a nitrogen atom. However, 1-azaaurone obtained by the replacement of intra-cyclic oxygen is the most prominent and desirable. They are the bioactive compounds acting as potential anti-inflammatory, anticancer, antibacterial, and antiviral agents. They comprise relativ Read More
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Exploring the Therapeutic Potential of 1,3-Thiazole: A Decade Overview
Authors: Ajit Manchare, Swapnali Parit, Mukta Lele and Navnath HatvateAvailable online: 22 January 2025More LessThe escalating prevalence of lifestyle and microbial diseases poses a significant threat to human well-being, necessitating the discovery and development of novel drugs with distinct modes of action. Addressing this challenge involves employing innovative strategies, and one current approach involves utilizing heterocyclic compounds to synthesize hybrid molecules. These hybrids have resulted from the fusion of two o Read More
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Advances in Structural Types and Pharmacochemistry of CDK12 Inhibitors
Authors: Dan Wang, Ming-tao Xia, Jia-xin Yan, Ling Yu and Shuai LiAvailable online: 21 January 2025More LessCyclin-Dependent Kinase (CDK) 12 is a member of the 20-membered CDK family (CDK1-20) and plays a vital role in regulating gene transcription, mRNA splicing, translation, cell cycle, and repair of DNA damage. CDK12 is an emerging therapeutic target due to its role in regulating the transcription of DNA Damage Response (DDR) genes in Cyclin-Dependent Kinase (CDK). However, the development of selective small m Read More
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Identification of Natural Terpenoid Compounds as Potential Inhibitors of Nucleoprotein of Influenza A Virus using in silico Approach: ADMET, Molecular Docking, and Molecular Dynamic Simulation
Available online: 13 January 2025More LessBackgroundWe continue to struggle with the prevention and treatment of the influenza virus. The 2009 swine flu pandemic, caused by the H1N1 strain of influenza A, resulted in numerous fatalities. The threat of influenza remains a significant concern for global health, and the development of novel drugs targeting these viruses is highly desirable.ObjectiveThe objective of this study is to explore the inhibitory potential of terpen Read More
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Isoindoline-1,3-dione Derivatives as Prototypes for Anticonvulsant Drug Discovery
Available online: 09 January 2025More LessIntroduction Epilepsy encompasses numerous syndromes characterized by spontaneous, intermittent, and abnormal electrical activity in the brain. Affecting about 1-2% of the population, it is estimated that approximately 30-40% of patients experience refractory epilepsy, which does not respond to traditional anticonvulsant drugs. Aims Therefore, developing novel, safe, and effective antiepileptic drugs remains a medical Read More
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Pyrazoline Derivatives: Exploring the Synthesis and Development of New Ligands for Anti-Cancer Therapy
Available online: 09 January 2025More LessPyrazoline is a 5-membered ring that has two adjacent nitrogen. It has gained advanced attention from medical and organic chemists due to very low cytotoxic activities. It is applicable and more applied in research fields and has various pharmacological activities, including cardiovascular, anti-tumor, and anti-cancer properties. In this review, the main objective is to study the pharmacological aspects of pyrazoline and its deriva Read More
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Recent Developments in Azetidinone-Azole Conjugates: Emerging Antimicrobial Potentials
Authors: Dinesh Kumar Mehta, Rajiv Chaurasiya and Rina DasAvailable online: 08 January 2025More LessThe emergence of multidrug-resistant microbial strains poses a significant challenge to global public health. In response, researchers have been exploring innovative antimicrobial agents with enhanced efficacy and novel mechanisms of action. One promising approach involves the synthesis of hybrid molecules combining azetidinone and azole moieties, capitalizing on the respective antimicrobial properties of both structural Read More
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Marine-Derived Compound Targeting mTOR and FGFR-2: A Promising Strategy for Breast, Lung, and Colorectal Cancer Therapy
Available online: 07 January 2025More LessIntroduction The marine habitat is a plentiful source of diverse, active compounds that are extensively utilised for their medicinal properties. Pharmaceutical trends have currently changed towards utilising a diverse range of goods derived from the marine environment. Method This study aimed to examine the inhibitory effects of bioactive chemicals derived from marine algae and bacteria. The identification of these comp Read More
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Extraction, Isolation and Purification of Catechins and their Applications
Authors: Hong-Mei Cao, Jiao-Jiao Fang, Yi-Tao Zhao, Pei-Hong Zhao and Xin ChenAvailable online: 06 January 2025More LessCatechins, the main active components of tea polyphenols, boast remarkable antioxidant activities because of their unique structures. This translates to a range of potential health benefits, including fighting antibacterial, inflammation, and even cancers. However, extracting these beneficial compounds can be tricky as they're prone to degradation. Thankfully, recent advancements have yielded successful methods Read More
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Unveiling Indazole: Novel Synthetic Pathways and Biological Potentials
Authors: Shilpi Pathak, Anmol Goswami and Kenika SharmaAvailable online: 24 December 2024More LessIndazole, a heterocyclic molecule, has emerged as a useful scaffold in synthetic and medicinal chemistry due to its broad biological activity and ease of synthesis. This article thoroughly analyzes unique synthetic methods used to diversify indazole derivatives, such as metal-catalyzed reactions, ecologically friendly approaches, and novel multicomponent reactions. These advances have increased the efficiency and sel Read More
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Pyridazinone: Current Progress in Synthesis of its Derivatives and Biological Activity
Authors: Shilpi Pathak, Vishnu Sharma, Neetu Agrawal and Sangeeta SharmaAvailable online: 24 December 2024More LessPyridazinone, a six-membered heterocyclic molecule, has emerged as an important pharmacophore in drug discovery due to its diverse range of biological actions. This adaptable scaffold has shown tremendous promise in the development of therapeutic medicines for a variety of pharmacological conditions, including anti-inflammatory, anti-cancer, anti-microbial, cardiovascular, and central nervous system illnesse Read More
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Targeting Breast Cancer: Novel Dihydropyrimidinones As Potent Eg5 Inhibitors
Authors: Dhirajkumar Nikam, Anurekha Jain, Shraddha Vetale, Ashwini Bhange and Shweta JadhavAvailable online: 13 December 2024More LessIntroduction Breast cancer remains a formidable health concern for women, necessitating the development of potent anticancer agents with improved safety profiles. Dihydropyrimidinones (DHPM), pyrazole, and benzofuran scaffolds have emerged as promising targets due to their diverse pharmacological profiles. In this study, we employed a scaffold hopping approach to design a novel DHPM-Pyrazole-Benzofuran core. A s Read More
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Identification of Potential FDA-Approved Inhibitors of SARS-CoV-2 Helicase Through a Multistep In Silico Approach: A Promising Prospect for COVID-19 Treatment
Authors: Ibrahim. H. Eissa, Eslam B. Elkaeed, Alaa Elwan, Aisha A. Alsfouk and Ahmed M. MetwalyAvailable online: 28 November 2024More LessIntroduction In this research aiming at combating COVID-19, we employed advanced computer-based methods to identify potential inhibitors of SARS-CoV-2 helicase from a pool of 3009 clinical and FDA-approved drugs. Method: To narrow down the candidates, we focused on VXG, the helicase’s co-crystallized ligand, and sought compounds with chemical structures akin to VXG within the examined drugs. The initial phas Read More
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Carboxylic Acids as Activators of NRF2: Antioxidant and Anti-inflammatory Effects
Available online: 08 November 2024More LessThe complex interaction between carboxylic acids and molecular signaling pathways, particularly the nuclear factor erythroid 2-related factor 2 (NRF2) pathway, is of growing interest in medicinal chemistry due to its potential therapeutic benefits. Carboxylic acids, which are widely distributed in nature, are versatile regulators of cellular responses due to their ability to interact with multiple signaling pathways, especially those i Read More
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Imidazole-Based Metal Complex Derivatives: A Comprehensive Overview of Synthesis and Biological Applications
Available online: 30 October 2024More LessThe imidazole scaffold is a cornerstone in medicinal chemistry, widely recognized for its extensive range of biological activities and ability to form stable metal complexes. This review article provides a detailed overview of recent advancements in synthesizing, characterization, and biological evaluation of metal-complexed imidazole derivatives. We explored various synthetic strategies to create diverse metal-based imidazole Read More
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