Journal ArticleDOI
Synthesis, Antimicrobial Evaluation, and Docking Studies of Substituted Acetylphenoxymethyl‐triazolyl‐ N ‐phenylacetamides
Pramod S. Phatak,Bhaurao P. Sathe,Sambhaji T. Dhumal,Naziya N. M. A. Rehman,Prashant P. Dixit,Vijay M. Khedkar,Kishan P. Haval +6 more
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This article is published in Journal of Heterocyclic Chemistry.The article was published on 2019-07-01. It has received 18 citations till now. The article focuses on the topics: Docking (molecular).read more
Citations
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Design and synthesis of new indanol-1,2,3-triazole derivatives as potent antitubercular and antimicrobial agents.
Pramod S. Phatak,Rajubai D. Bakale,Ravibhushan S. Kulkarni,Sambhaji T. Dhumal,Prashant P. Dixit,Vagolu Siva Krishna,Dharmarajan Sriram,Vijay M. Khedkar,Kishan P. Haval +8 more
TL;DR: A series of new thirty-two indanol-1,2,3-triazole derivatives synthesized were reported, showing good antitubercular activity against Mycobacterium tuberculosis H37Rv and good antimicrobial activities against both antibacterial and antifungal pathogens.
Journal ArticleDOI
Quinazoline clubbed thiazole and 1,3,4-oxadiazole heterocycles: synthesis, characterization, antibacterial evaluation, and molecular docking studies
TL;DR: In search of potent antibacterial agents, a series of novel quinazolines, bearing thiazole and 1,3,4-oxadiazole heterocycles 6a-j (3-(4-methyl-5-(4)-((arylamino)methyl)-5-thioxo-4,5-dihydro-1, 3, 4-ox...
Journal ArticleDOI
Simultaneous ultrasound- and microwave-assisted one-pot 'click' synthesis of 3-formyl-indole clubbed 1,2,3-triazole derivatives and their biological evaluation.
TL;DR: In this paper, an environment friendly, high yielding, promising one-pot protocol for the click reaction of N-propargyl-3-formylindole 2(a-b), chloroacetic acid/ester 3(a−b) and sodium azide, leading to the formation of 3 -formyl-indole clubbed 1,4-disubstituted-1,2,3-triazole derivatives 4(a −b), 5 −b and 6 −f aided by CuI catalyst accomplished under acceleration of simultaneous ultrasound and microwave
Journal ArticleDOI
Synthesis of isoniazid-1,2,3-triazole conjugates: Antitubercular, antimicrobial evaluation and molecular docking study
Adinath D. Badar,Shubham M. Sulakhe,Mahesh B. Muluk,Naziya N. M. A. Rehman,Prashant P. Dixit,Prafulla B. Choudhari,Estharla Madhu Rekha,Dharmarajan Sriram,Kishan P. Haval +8 more
Journal ArticleDOI
Graphene oxide-based electrochemical activation of ethionamide towards enhanced biological activity
Balaji B. Mulik,Sambhaji T. Dhumal,Vijay S. Sapner,Naziya N. M. A. Rehman,Prashant P. Dixit,Bhaskar R. Sathe +5 more
TL;DR: In this paper, the electrochemical behavior of ETO was investigated on GO (∼500 nm) using the linear sweep voltammetric (LSV) technique at the sweep rate of 10 mV s−1 in 1 M PBS buffer solution, and the characteristic anodic signal was examined at 0.240 V over the potential range of −0.4 to 1 V vs SCE.
References
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Journal ArticleDOI
Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy.
Richard A. Friesner,Jay L. Banks,Robert B. Murphy,Thomas A. Halgren,Jasna Klicic,Daniel T. Mainz,Matthew P. Repasky,Eric H. Knoll,Mee Shelley,Jason K. Perry,David E. Shaw,Perry Francis,Peter S Shenkin +12 more
TL;DR: Glide approximates a complete systematic search of the conformational, orientational, and positional space of the docked ligand to find the best docked pose using a model energy function that combines empirical and force-field-based terms.
Journal ArticleDOI
Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening.
Thomas A. Halgren,Robert B. Murphy,Richard A. Friesner,Hege S. Beard,Leah L. Frye,W. Thomas Pollard,Jay L. Banks +6 more
TL;DR: Comparisons to results for the thymidine kinase and estrogen receptors published by Rognan and co-workers show that Glide 2.5 performs better than GOLD 1.1, FlexX 1.8, or DOCK 4.01.
Journal ArticleDOI
Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein-Ligand Complexes
Richard A. Friesner,Robert B. Murphy,Matthew P. Repasky,Leah L. Frye,Jeremy R. Greenwood,Thomas A. Halgren,Paul C. Sanschagrin,Daniel T. Mainz +7 more
TL;DR: Enrichment results demonstrate the importance of the novel XP molecular recognition and water scoring in separating active and inactive ligands and avoiding false positives.
Journal ArticleDOI
The growing applications of click chemistry
John E. Moses,Adam D. Moorhouse +1 more
TL;DR: This tutorial review examines the copper(I)-catalysed 1,2,3-triazole forming reaction between azides and terminal alkynes, which has become the gold standard of click chemistry due to its reliability, specificity and biocompatibility.
Journal ArticleDOI
Antibiotic resistance and its cost: is it possible to reverse resistance?
Dan I. Andersson,Diarmaid Hughes +1 more
TL;DR: The findings suggest that the fitness costs of resistance will allow susceptible bacteria to outcompete resistant bacteria if the selective pressure from antibiotics is reduced, and that the rate of reversibility will be slow at the community level.