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- Volume 18, Issue 4, 2021
Current Drug Discovery Technologies - Volume 18, Issue 4, 2021
Volume 18, Issue 4, 2021
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Insights into Machine Learning-based Approaches for Virtual Screening in Drug Discovery: Existing Strategies and Streamlining Through FP-CADD
Authors: Waqar Hussain, Nouman Rasool and Yaser D. KhanBackground: Machine learning is an active area of research in computer science by the availability of big data collection of all sorts prompting interest in the development of novel tools for data mining. Machine learning methods have wide applications in computer-aided drug discovery methods. Most incredible approaches to machine learning are used in drug designing, which further aid the process of biological modelli Read More
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Molecular Context of ADP-ribosylation in Schistosomes for Drug Discovery and Vaccine Development
More LessSchistosome infection is regarded as one of the most important and neglected tropical diseases associated with poor sanitation. Like other living organisms, schistosomes employ multiple biological processes, of which some are regulated by a post-translational modification called Adenosine Diphosphate-ribosylation (ADP-ribosylation), catalyzed by ADP-ribosyltransferases. ADP-ribosylation is the addition of ADP-ribose moietie Read More
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A Concise Overview of Phytochemistry, Pharmacology and Clinical Aspects of Persian Cumin; Bunium persicum (Boiss.) B.Fedtsch.
Authors: Mahkameh M. Mehrabadi and Mohammad M. ZarshenasBunium persicum is one of the most medically and economically important species of the Apiaceae family. Despite a variety of phytochemical and experimental research on this species, there is no considerable update on all related outcomes. Accordingly, current work compiles an overview of Cumin’s phytochemical and pharmacological activities. Papers related to phytochemistry, pharmacology and clinical properties of B. per Read More
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In Silico Analysis, Synthesis, and Biological Evaluation of Triazole Derivatives as H1 Receptor Antagonist
Authors: Sandip N. Badeliya, Ishan I. Panchal, Bibhuranjan Panigrahi and C. N. PatelIntroduction: Histamine, a biological amine, is considered as a principal mediator of many pathological processes regulating several essential events in allergies and autoimmune diseases. Numerous derivatives have been developed that strive with histamine at the H1 receptor and prevent binding of histamine at the H1 receptor, thereby preventing allergic reactions. Molecules containing a triazole ring fused with six-membe Read More
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In-vitro Bactericidal Activity of a Novel Plant Source Plumeria pudica against Some Human and Fish Pathogenic Bacteria
Authors: Shubhaisi Das, Sunanda Burman and Goutam ChandraBackground: The only remedy for up surging problem of antibiotic resistance is the discovery of antibacterial agents of natural origin. Objective: The present study was aimed at finding antibacterial potential of crude and solvent extracts of mature leaves of Plumeria pudica. Methods: Antibacterial activity of three different solvent extracts were evaluated in four human and four fish pathogenic bacteria by measuring th Read More
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Extraction, Chemical Composition, Antioxidant Property, and In-vitro Anticancer Activity of Silymarin from Silybum marianum on Kb and A549 Cell Lines
Introduction: This study aimed to evaluate the antioxidant property of Silymarin (SM) extracted from the seed of Silybum marianum and its anticancer activity on KB and A549 cell lines following 24, 48, and 72 h of treatment. Methods: Ten grams of powdered S. marianum seeds were defatted using n-hexane for 6 hours and then extracted by methanol. The Silymarin extracted of extraction components. The extracted Read More
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Inhibitory Effect of Artemisinin on Testosterone Propionate Induced Benign Prostatic Hyperplasia
Authors: Ayushi Solanki, Sandip Patel, Nilay Solanki and Umang ShahBackground: Benign prostate hyperplasia [BPH] is an abnormal growth of prostate observed commonly in elderly males. Artemisinin has been reported to reduce the levels of testosterone. Objective: This study is designed to evaluate the efficacy of Artemisinin on testosterone propionate [TP] induced benign prostate hyperplasia. Materials and Methods: Male Wistar albino rats [n=24] were separated into four groups of six Read More
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Effect of Nectaroscordum koelzi Methanolic Extract on Acute and Chronic Inflammation in Male Mice
Introduction: The present study deals with the effect of Nectaroscordum koelzi fruit extract on acute and chronic inflammation. Methods: A total of 84 NMRI mice were used in this study. The effect of the extract on acute inflammation was analyzed by increasing vascular permeability via acetic acid and xylene induced ear edema among mice. The extract was evaluated in terms of effects on chronic inflammation by means of th Read More
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Potential Fatty Acid as Antibacterial Agent Against Oral Bacteria of Streptococcus mutans and Streptococcus sanguinis from Basil (Ocimum americanum): In vitro and In silico Studies
Authors: Yetty Herdiyati, Yonada Astrid, Aldina A. N. Shadrina, Ika Wiani, Mieke H. Satari and Dikdik KurniaBackground: Streptococcus mutans and Streptococcus sanguinis are Gram-positive bacteria that cause dental caries. MurA enzyme acts as a catalyst in the formation of peptidoglycan in bacterial cell walls, making it ideal as an antibacterial target. Basil (Ocimum americanum) is an edible plant that is diverse and has been used as a herbal medicine for a long time. It has been reported that basil has a pharmacological effec Read More
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The Effect of Myrtus communis Aqueous Extract-Containing Gel on Wound Healing in Streptozotocin-Induced Diabetic Rats
Background: The medicinal plant Myrtus communis L. (Myrtle) has properties, including anti-inflammatory and wound healing in Persian Medicine. Objective: The objective of this study was to explore the wound healing potential of the local application of a gel containing aqueous extract of the plant berry in streptozotocin (STZ)-induced diabetic rats. Methods: Seven days after diabetes establishment, full-thickness excision skin Read More
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The Toxicity Effect of Echium amoenum on the Liver and Kidney of Mice
Aims: The aim of this study was to investigate the toxic effect of Echium amoenum plants on the liver and kidney of the animal model. Background: Echium amoenum is one of the medicinal plants containing pyrrolizidine alkaloids with several properties which has widely consumed among different communities. Objective: The toxic effects of Echium amoenum on the liver and kidney were investigated in this study. Methods: Read More
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Discovery of Traditional Chinese Medicine Derived Compounds as Wild Type and Mutant Plasmodium falciparum Dihydrofolate Reductase Inhibitors: Induced Fit Docking and ADME Studies
Background: In a bid to come up with effective compounds as inhibitors for antimalarial treatment, we built a library of 2,000 traditional Chinese medicine(TCM)-derived compounds retrieved from TCM Database@Taiwan. Methods: The active sites of both the wild type and mutant Plasmodium falciparum dihydrofolatereductase (pfDHFR) were explored using computational tools. pfDHFR, one of the prime drug targets in the prev Read More
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In Silico Investigation of the SARS CoV2 Protease with Thymoquinone, the Major Constituent of Nigella Sativa
Authors: Youness Kadil, Mohammed Mouhcine and Houda FilaliIntroduction: The COVID-19 caused by a new type of coronavirus has emerged from China and led to thousands of deaths globally. Despite many groups engaged in studying the newly emerged virus and searching for the treatment, the understanding of the SARS-CoV2 target ligand interactions represents a key challenge. Several studies are being conducted to identify potential treatment. Alternatively, the results of Read More
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Volumes & issues
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Volume 22 (2025)
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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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