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Current Topics in Medicinal Chemistry

Priyanka Dhiman, Neelam Malik, Anurag Khatkar
BACKGROUND: Monoamine oxidase (MAO) is a critical target used for the cure of neuropsychological diseases. OBJECTIVE: A series of quercetin based derivatives was designed, synthesized, and evaluated as novel multifunctional agents against monoamine oxidase A and B with antioxidant potential. METHOD: Hybrid derivatives based on quercetin were synthesized and screened for hMAO inhibition along with antioxidant activity. Molecular docking was performed to explicate the rationale of the different MAO (IC50) values and to explain the presence of inhibitory activity against specificity, respectively...
February 12, 2019: Current Topics in Medicinal Chemistry
Nisha Chhokar, Sourav Kalra, Monika Chauhan, Anjana Munshi, Raj Kumar
The failure of the Integrase Strand Transfer Inhibitors (INSTIs) due to the mutations occurring at catalytic site of HIV integrase (IN) has led to the design of allosteric integrase inhibitors (ALLINIs). Lens epithelium derived growth factor (LEDGF/p75) is the host cellular cofactor helps chaining IN to the chromatin. The protein-protein interactions (PPIs) were observed at allosteric site (LEDGF/p75 binding domain) between LEDGF/p75 of host cell and IN of virus. In the recent years, many small molecules such as CX04328, CHIBA-3053 and CHI-104 are reported as LEDGF/p75-IN interaction inhibitors (LEDGINs)...
February 8, 2019: Current Topics in Medicinal Chemistry
Althaf Shaik, Harshit Kumar Agarwal, Rashmi Bhakuni, Sivapriya Kirubakaran
PDE5A is a phosphodiesterase which specifically hydrolyzes the cGMP to GMP. PDE5A takes part in several physiological and pathological pathways and is considered an important drug target. Currently, PDE5 inhibitors (ex; Sildenafil, Tadalafil) available in the market are not only being used for the treatment of erectile dysfunction but at the same time, they are also in the clinical trials being investigated as anticancer agents. In this work, we have examined pyrazolo [4,3-c]quinolin-3-ones as PDE5A inhibitors...
February 8, 2019: Current Topics in Medicinal Chemistry
Krishnan Balasubramanian
We review various mathematical and computational techniques for drug discovery exemplifying some recent works pertinent to group theory of nested structures of relevance to phylogeny, topological, computational and combinatorial methods for drug discovery for multiple viral infections. We have reviewed techniques from topology, combinatorics, graph theory and knot theory that facilitate topological and mathematical characterizations of protein-protein interactions, molecular-target interactions, proteomics, genomics and statistical data reduction procedures for a large set of starting chemicals in drug discovery...
February 8, 2019: Current Topics in Medicinal Chemistry
Neelam Malik, Priyanka Dhiman, Anurag Khatkar
BACKGROUND: A large number of disorders and their symptoms emerge from deficiency or overproduction of specific metabolites has drawn the attention for discovery of new therapeutic agents for the treatment of disorders. Various approaches such as computational drug design have provided the new methodology for the selection and evaluation of target protein and the lead compound mechanistically. For instance, the overproduction of xanthine oxidase causes the accumulation of uric acid which can prompted gout...
February 6, 2019: Current Topics in Medicinal Chemistry
Xiaoai Wu, Huawei Cai, Lili Pan, Gang Cui, Feng Qin, YunChun Li, Zhengxin Cai
Alzheimer's disease (AD) is a progressive and deadly neurodegenerative disease that is characterized by memory loss, cognitive impairment and dementia. Several hypotheses have been proposed for the pathogenesis based on the pathological changes in brain of AD patients during last few decades. But unfortunately, there were no effective agents/therapies to prevent or control AD at present. Currently, only a few drugs, which function as acetylcholinesterase (AChE) inhibitors or N-methyl-D-aspartate (NMDA) receptor antagonists, are available to alleviate symptoms...
February 1, 2019: Current Topics in Medicinal Chemistry
Phaedra Eleftheriou, Athina Geronikaki, Anthi Petrou
BACKGROUND: Diabetes mellitus (DM), is a metabolic disorder characterized by high blood glucose levels. The main types of diabetes mellitus are Diabetes mellitus type I, Diabetes mellitus type II, gestational diabetes and Diabetes of other etiology. Diabetes type II, the non insulin dependent type (NIDDM) is the most common type, characterized by the impairment in activation of the intracellular mechanism leading to the insertion and usage of glucose after interaction of insulin with its receptor, known as insulin resistance...
February 1, 2019: Current Topics in Medicinal Chemistry
Nan Liu, Qiang Wan, Zhen Cheng, Yue Chen
Malignant tumors are a major cause of death. The lack of methods that provide an early diagnosis and adequate treatment of cancers is the main obstacle to precision medicine. The C-X-C chemokine receptor 4 (CXCR4) is overexpressed in various tumors and plays a key role in tumor pathogenesis. Therefore, CXCR4-targeted molecular imaging can quickly and accurately detect and quantify CXCR4 abnormalities in real time. The expression level and activation status of CXCR4 are very important for screening susceptible populations and providing an accurate diagnosis and optimal treatment...
January 31, 2019: Current Topics in Medicinal Chemistry
Wei Diao, Huawei Cai, Lihong Chen, Xi Jin, Xinyang Liao, Zhiyun Jia
BACKGROUND: Prostate cancer (PCa) is the most common sex-related malignancy with high mortality in men worldwide. Prostate-specific membrane antigen (PSMA) is overexpressed on the surface of most prostate tumor cells and considered a valuable target for both the diagnosis and therapy of prostate cancer. A series of radiolabeled agents have been developed based on the featured PSMA ligands in the previous decade and have demonstrated promising outcomes in clinical research of primary and recurrent PCa...
January 31, 2019: Current Topics in Medicinal Chemistry
E A Rekka, P N Kourounakis, M Pantelidou
BACKGROUND: The biotransformation of xenobiotics is a homeostatic defensive response of the body against bioactive invaders. Xenobiotic metabolizing enzymes, important for the metabolism, elimination and detoxification of exogenous agents, are found in most tissues and organs and are distinguished into phase I and phase II enzymes, as well as phase III transporters. The cytochrome P450 superfamily of enzymes plays a major role in the biotransformation of most xenobiotics as well as in the metabolism of important endogenous substrates such as steroids and fatty acids...
January 29, 2019: Current Topics in Medicinal Chemistry
Christophe Tratrat, Michelyne Haroun, Iakovos Xenikakis, Evangelia Tsolaki, Phaedra Eleftheriou, Anthi Petrou, Bandar Aldhubiab, Mahesh Attimarad, Katharigatta N Venugopala, Sree Harsha, Heba S Elsewedy, Athina Geronikaki, Marina Soković
BACKGROUND: Thiazole derivates as well as chalcones, are very important scaffold for medicinal chemistry. Literature survey revealed that they possess wide spectrum of biological activities among which are anti-inflammatory and antimicrobial. OBJECTIVES: The current studies describe the synthesis and evaluation of antimicrobial activity of twenty eight novel thiazole-based chalcones. METHODS: The designed compounds were synthesized using classical methods of organic synthesis...
January 29, 2019: Current Topics in Medicinal Chemistry
Mridula Saxena, Ragini Dubey
Alzheimer's disease (AD), affecting a large population worldwide is characterized by the loss of memory and learning ability in the old population. The enzyme acetylcholinesterase enzyme (AChE) is the key enzyme in the hydrolysis of the neurotransmitter acetylcholine and is also the target of most of the clinically used drugs for the treatment of AD but these drugs provide only symptomatic treatment and have the limitation of loss of therapeutic efficacy with time. To review the development of different strategies targeting the AChE enzyme along with other targets like butyl cholinesterase (BChE), amyloid-β (Aβ), β-secretase-1 (BACE), metals antioxidant properties and free radical scavenging capacity focused in recent years...
January 28, 2019: Current Topics in Medicinal Chemistry
Yanan Li, Liping Du, Chunsheng Wu, Bin Yu, Hui Zhang, Feifei An
Enzymatic dysregulation in tumor and intracellular microenvironments has made this property a tremendously promising responsive element for efficient diagnostics, carrier targeting, and drug release. When combined with nanotechnology, enzyme-responsive drug delivery systems (DDSs) have achieved substantial advancements. In the first part of this tutorial review, changes in tumor and intracellular microenvironmental factors, particularly the enzymatic index, are described. Subsequently, the peptide sequences of various enzyme-triggered nanomaterials are summarized for their uses in various drug delivery applications...
January 25, 2019: Current Topics in Medicinal Chemistry
Yu Bai, Wenliang Li, Ting Wang, Daid Ahmad, Guihua Cui
The causes and progression of cancer are controlled by epigenetic processes, and thus the mechanisms involved in epigenetic regulation of cancer development and gene expression, gene and signaling pathways have been studied. Histone deacetylases (HDACs) have a major impact on chromatin remodeling and epigenetics, making their inhibitors a very interesting area of research. This review is a comprehensive report on the literature published in the past few years. Histone deacetylase(HDAC) inhibitors consist of an attractive field for targeted therapy against cancer...
January 25, 2019: Current Topics in Medicinal Chemistry
Junfu Zhang, Liying Wang, Xinru You, Tuzeng Xian, Jun Wu, Jun Pang
Traditional prostate cancer therapy and especially chemotherapy has faced many challenges. Low accumulation levels, rapid clearance or drug resistance at the tumor site have been central to why the effect of chemotherapy drugs has declined. Applications of nanotechnology to biomedicine have enabled the development of nanoparticle therapeutic carriers suited for the delivery of chemotherapeutics in cancer therapy. This review describes the current nature of nanoparticle therapeutic carriers for prostate cancer...
January 25, 2019: Current Topics in Medicinal Chemistry
Shams Aaghaz, Vivek Gohel, Ahmed Kamal
Cancer consists of heterogeneous multiple cell subpopulation which at a later stage develop resistant phenotypes, which include resistance to pro-apoptotic stimuli and/or cytotoxic resistance to anticancer compounds. The property of cancerous cells to affect almost any part of the body categorizes cancer to many anatomic and molecular subtypes, each requiring particular therapeutic intervention. As several modalities are hindered in a variety of cancers and as the cancer cells accrue varied types of oncogenic mutations during their progression the most likely benefit will be obtained by combination of therapeutic agents that might address the diverse hallmarks of cancer...
January 25, 2019: Current Topics in Medicinal Chemistry
Alexander V Dmitriev, Alexey A Lagunin, Dmitry А Karasev, Anastasia V Rudik, Pavel V Pogodin, Dmitry A Filimonov, Vladimir V Poroikov
Drug-drug interaction (DDI) is a phenomenon of alteration of the pharmacological activity of a drug(s) when another drug(s) is co-administrated in case of so-called polypharmacy. There are three types of DDIs: pharmacokinetic (PK), pharmacodynamic, and pharmaceutical. PK is the most frequent type of DDI, and often it appears as a result of inhibition or induction of drug-metabolizing enzymes (DME). In this review, we summarize in silico methods that may be applied for prediction of inhibition or induction of DMEs and describe appropriate computational methods for DDI prediction, show the current place and perspectives of these approaches in medicinal and pharmaceutical chemistry...
January 23, 2019: Current Topics in Medicinal Chemistry
Maia Merlani, Vakhtang Barbakadze, Lela Amiranashvili, Lali Gogilashvili, Vladimir Poroikov, Anthi Petrou, Athina Geronikaki, Ana Ciric, Jasmina Glamoclijad Marina Sokovic
BACKGROUND: Phenolic acids (caffeic-, ferulic and p-coumaric acid) are widely distributed in the plant kingdom and exhibit broad spectrum of biological activities, including antimicrobial activity. OBJECTIVE: The goal of this paper is synthesis of some caffeic acid derivatives selected based on computer-aided predictions and evaluate their in vitro antimicrobial properties against Gram positive and Gram negative bacteria and also a series of fungi. METHODS: In silico prediction of biological activity was used to identify the most promising structures for synthesis and biological testing, and the putative mechanisms of their antimicrobial action...
January 22, 2019: Current Topics in Medicinal Chemistry
Qihui Wu, Hanzhong Ke, Dongli Li, Qi Wang, Jiansong Fang, Jingwei Zhou
Over the past decades, peptide as a therapeutic candidate has received increasing attention in drug discovery, especially for antimicrobial peptides (AMPs), anticancer peptides (ACPs) and anti-inflammatory peptides (AIPs). It is considered that the peptides can regulate various complex diseases which are previously untouchable. In recent years, the critical problem of antimicrobial resistance drives the pharmaceutical industry to look for new therapeutic agents. Comparing to organic small drugs, peptide-based therapy exhibits high specificity and minimal toxicity...
January 22, 2019: Current Topics in Medicinal Chemistry
Yan Li, Fang Wang, Xiaoxue Chen, Jie Wang, Yonglong Zhao, Yongjun Li, Bin He
The state of histone acetylation plays a very crucial role in carcinogenesis and its development by chromatin remodeling and thus altering transcription of oncogenes and tumor suppressor genes. Such epigenetic regulation was controlled by zinc-dependent histone deacetylases (HDACs), one of major regulators. Due to the therapeutic potential of HDACs as one of promising drug targets in cancer, HDAC inhibitors have been intensively investigated over last few decades. Notably, there are five HDAC inhibitors already approved to the market...
January 22, 2019: Current Topics in Medicinal Chemistry
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