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- Volume 16, Issue 7, 2019
Letters in Drug Design & Discovery - Volume 16, Issue 7, 2019
Volume 16, Issue 7, 2019
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Synthesis, Characterization, Free-radical Scavenging Capacity and Antioxidant Activity of Novel Series of Hydrazone, 1,3,4-oxadiazole and 1,2,4-triazole Derived from 3,5-dimethyl-1H-pyrazole
Background: Pyrazole is an important class of heterocyclic compound, has been shown to exhibit diverse biological and pharmacological activities such as anti-inflammatory, anti-cancer, antioxidant, etc. Methods: In this study, a series of novel 3,5-dimethyl-1H-pyrazole derivatives containing hydrazine 4a-l have been synthesized via the reaction of the 2-(3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide. All synthesized compounds Read More
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Design and Synthesis of Benzopyranopyrimidinyl Phosphonates as Cytotoxic and Antioxidant Agents
Background: A concatenation of bioactive diethyl(2-hydroxyphenylsubstituted) benzopyrano pyrimidinyl phosphonates were synthesized under eco-friendly green conditions in the presence of palladium doped graphitic carbon nitride (Pd@g-C3N4) as catalyst. Methods: The title compounds were evaluated for cytotoxic activity against MCF-7, SW-480, HeLa and HL-7702 cell lines and in-vitro antioxidant activity by DPPH, NO and H2 Read More
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Synthesis, Anti-inflammatory, Antimicrobial Potential and Molecular Docking Studies of 4,5-Disubstituted-1,2,4-Triazole Thioacetate Derivatives
Authors: Muhammad N. Arif, Humaira Nadeem, Rehan Zafar Paracha, Arif-ullah Khan, Muhammad Imran and Fawad AliBackground: In the present study synthesis and biological assessment of nine new ethyl [(4,5-disubstituted- 4H-1,2,4-triazol-3-yl)sulfanyl]acetate derivatives 2(a-i) is performed. Methods: The title compounds were characterized by their analytical and spectral data. All the synthesized compounds were screened for their in vivo anti-inflammatory activity using carrageenaninduced rat paw oedema method and in vitro a Read More
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QSAR and Molecular Modeling Studies on a Series of Pyrrolidine Analogs Acting as BACE-1 Inhibitors
Background: β-Site amyloidal precursor protein (APP) cleavage enzyme (BACE-1) is reported as prime cause for progession of Alzheimer’s disease (AD). It is a form of dementia characterized by degeneration of neurones in brain. Therefore, attempts have been made to find potent inhibitors of this enzyme. Methods: The paper presents an division-based 2D quantitative structure-activity relationship (QSAR) study on a series of B Read More
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Structure Based Identification of Potential Inhibitors of NS3 Protein of Zika Virus
Background: The re-emerging Zika virus has posed a serious threat to human health due to its association with the neurological disorders. The NS3 protein of Zika virus plays a pivotal role in the genome replication and thus may prove to be a critical target for the drug designing studies. Objective: The present study was conceptualized to analyze the crystal structure of NS3 protein of Zika virus followed by the identificatio Read More
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Pharmacophore Modeling and Docking Studies to Investigate Potential Leads for the Development of β -Secretase APP Cleavage Enzyme-1 (BACE-1) Inhibitors
Authors: Richa Arya, Satya P. Gupta, Sarvesh Paliwal, Swapnil Sharma, Kirtika Madan and Monika ChauhanBackground: Alzheimer’s disease is a medical condition with detrimental brain health. It is majorly diagnosed in aging individuals plaque in β) characterized by accumulated Amyloidal beta (A 1 BACE) 1 secretase APP cleavage enzyme βneurological areas. The ) is the target of choice that can be exploited to find drugs against Alzheimer’s disease. Methods: A series of BACE-1 inhibitors with reported binding constant were c Read More
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Novel Trifluoromethylpyrazole Acyl Thiourea Derivatives: Synthesis, Antifungal Activity and Docking Study
Authors: Han Wang, Zhi-Wen Zhai, Yan-Xia Shi, Cheng-Xia Tan, Jian-Quan Weng, Liang Han, Bao-Ju Li and Xing-Hai LiuBackground: In recent years, pyrazole carboxamide derivatives possessed excellent fungicidal activity. In the process of designing new fungicides, the carboxamide group was modified in order to find novel structure pyrazole carboxamide derivatives. Methods: Ten novel trifluoromethyl pyrazole acyl thiourea derivatives were designed and synthesized. In vivo fungicidal activities of these compounds were tested against Fusarium Read More
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Design, Synthesis and Anti-tuberculosis Activity of Hydrazones and N-acylhydrazones Containing Vitamin B6 and Different Heteroaromatic Nucleus
Background: The term vitamin B6 refers to a set of six compounds, pyridoxine,pyridoxal ,and pyridoxamine and their phosphorylated forms, among which pyridoxal 5´-phosphate (PLP) is the most important and active form acting as a critical cofactor. These compounds are very useful in medicinal chemistry because of their structure and functionalities and are also used in bioinorganic chemistry as ligands for complexatio Read More
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Interaction of Stigmasterol with Trypanosomal Uridylyl Transferase, Farnesyl Diphosphate Synthase and Sterol 14α-demethylase: An In Silico Prediction of Mechanism of Action
Background: Trypanosomiasis is one of the neglected tropical diseases and continues to cause serious morbidity, mortality and economic loss. Current anti-trypanosomal drugs are antiquated and suffer from a number of serious setbacks, thereby necessitating the search for new drugs. Stigmasterol has previously demonstrated in vitro and in vivo anti-trypanosomal activity. Methods: Herein, stigmasterol was docked into Read More
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Structure Guided Molecular Docking Assisted Alignment Dependent 3DQSAR Study on Steroidal Aromatase Inhibitors (SAIs) as Anti-breast Cancer Agents
Authors: Laxmi Banjare, Sant K. Verma, Akhlesh Kumar Jain and Suresh TharejaBackground: In spite of the availability of various treatment approaches including surgery, radiotherapy, and hormonal therapy, the steroidal aromatase inhibitors (SAIs) play a significant role as chemotherapeutic agents for the treatment of estrogen-dependent breast cancer with the benefit of reduced risk of recurrence. However, due to greater toxicity and side effects associated with currently available anti-breast ca Read More
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Design, Synthesis and Cytotoxicity of Novel Coumarin-1,2,3-triazole-1,2,4-Oxadiazole Hybrids as Potent Anti-breast Cancer Agents
Background: This work reports design, synthesis, and in vitro cytotoxicity of novel coumarin-1,2,3-triazole-1,2,4-oxadiazole hybrids against three breast cancer cell lines MCF-7, MDA-MB-231, and T-47D. Methods: Synthetic procedure for the preparation of desired compounds was started from the reaction of coumarins or with propargyl bromide to give O-propargylated coumarins or 5. Then, click reaction between the later co Read More
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Volumes & issues
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Volume 21 (2024)
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Volume 20 (2023)
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Volume 19 (2022)
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Volume 18 (2021)
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Volume 17 (2020)
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Volume 16 (2019)
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Volume 15 (2018)
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Volume 14 (2017)
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Volume 13 (2016)
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Volume 12 (2015)
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Volume 11 (2014)
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Volume 10 (2013)
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Volume 9 (2012)
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Volume 8 (2011)
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Volume 7 (2010)
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Volume 6 (2009)
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Volume 5 (2008)
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Volume 4 (2007)
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Volume 3 (2006)
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Volume 2 (2005)
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Volume 1 (2004)
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