Inhibitory mechanism of 5-bromo-3-indoleacetic acid for non-structural-3 helicase hepatitis C virus with dynamics correlation network analysis (English)
- New search for: Rahman, Mueed Ur
- New search for: Rehman, Ashfaq Ur
- New search for: Liu, Hao
- New search for: Chen, Hai-Feng
- New search for: Rahman, Mueed Ur
- New search for: Rehman, Ashfaq Ur
- New search for: Liu, Hao
- New search for: Chen, Hai-Feng
In:
Computational biology and chemistry
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77
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167-177
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2018
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ISSN:
- Article (Journal) / Print
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Title:Inhibitory mechanism of 5-bromo-3-indoleacetic acid for non-structural-3 helicase hepatitis C virus with dynamics correlation network analysis
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Contributors:Rahman, Mueed Ur ( author ) / Rehman, Ashfaq Ur ( author ) / Liu, Hao ( author ) / Chen, Hai-Feng ( author )
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Published in:Computational biology and chemistry ; 77 ; 167-177
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Publisher:
- New search for: Elsevier Science B. V., Amsterdam
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Publication date:2018-01-01
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Size:11 pages
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ISSN:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 542.85
- Further information on Dewey Decimal Classification
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Classification:
DDC: 542.85 -
Source:
© Metadata Copyright the British Library Board and other contributors. All rights reserved.
Table of contents – Volume 77
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
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Computer-aided identification of natural lead compounds as cyclooxygenase-2 inhibitors using virtual screening and molecular dynamic simulationOunissi, Mourad / Kameli, Abdelkrim / Tigrine, Chafia / Rachedi, Fatma Zohra et al. | 2018
- 17
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Flexibility enables to discriminate between ligands: Lessons from structural ensembles of Bcl-xl and Mcl-1Maity, Atanu / Majumdar, Sarmistha / Ghosh Dastidar, Shubhra et al. | 2018
- 28
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EcircPred: Sequence and secondary structural property based computational identification of exonic circular RNAsKumar, Rajnish / Lahiri, Tapobrata et al. | 2018
- 36
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In silico and in vitro screening of small molecule Inhibitors against SYT-SSX1 fusion protein in synovial sarcomaNatarajan, Valliyammai / Ramanathan, Priya / Gopisetty, Gopal / Ramachandran, Balaji / Thangarajan, Rajkumar / Kesavan, Sabitha et al. | 2018
- 44
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In-silico screening of small molecule inhibitors against Lactate Dehydrogenase (LDH) of Cryptosporidium parvumDhal, Ajit Kumar / Pani, Alok / Mahapatra, Rajani Kanta / Yun, Soon-IL et al. | 2018
- 52
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Discovery of natural product inhibitors of phosphodiesterase 10A as novel therapeutic drug for schizophrenia using a multistep virtual screeningAl-Nema, Mayasah / Gaurav, Anand / Akowuah, Gabriel et al. | 2018
- 64
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Pharmacophore-based virtual screening for identifying β5 subunit inhibitor of 20S proteasomeArba, Muhammad / Nur-Hidayat, Andry / Surantaadmaja, Slamet Ibrahim / Tjahjono, Daryono H. et al. | 2018
- 72
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2-Furoic piperazide derivatives as promising drug candidates of type 2 diabetes and Alzheimer's diseases: In vitro and in silico studiesAbbasi, Muhammad Athar / Hassan, Mubashir / ur-Rehman, Aziz / Siddiqui, Sabahat Zahra / Hussain, Ghulam / Shah, Syed Adnan Ali / Ashraf, Muhammad / Shahid, Muhammad / Seo, Sung Yum et al. | 2018
- 87
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Computational insight into the phthalocyanine-DNA binding via docking and molecular dynamics simulationsOzalp, Lalehan / Sağ Erdem, Safiye / Yüce-Dursun, Başak / Mutlu, Özal / Özbil, Mehmet et al. | 2018
- 97
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Comprehensive analysis of damage associated SNPs of MMP9 gene: A computational approachBhatnager, Richa / Bhasin, Maheshwar / Dang, Amita S. et al. | 2018
- 109
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In silico screening of cancer-associated mutations in the HSA domain of BRG1 and its role in affecting the Arp-HSA sub-complex of SWI/SNFS., Alagu Sankareswaran / Goutham R.N., Arun / Mohan S., Suma et al. | 2018
- 116
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In silico analysis of Pax6 protein glycosylation in vertebratesUslupehlivan, Muhammet / Şener, Ecem / Deveci, Remziye et al. | 2018
- 123
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A validation strategy for in silico generated aptamersCataldo, R. / Ciriaco, F. / Alfinito, E. et al. | 2018
- 131
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Spectroscopic profiling (FT-IR, FT-Raman, NMR and UV-Vis), autoxidation mechanism (H-BDE) and molecular docking investigation of 3-(4-chlorophenyl)-N, N-dimethyl-3-pyridin-2-ylpropan-1-amine by DFT/TD-DFT and molecular dynamics: A potential SSRI drugAbraham, Christina Susan / Muthu, S. / Prasana, Johanan Christian / Armaković, Sanja J. / Armaković, Stevan / Rizwana B., Fathima / A.S., Ben Geoffrey et al. | 2018
- 146
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Unraveling the mechanism of l-gulonate-3-dehydrogenase inhibition by ascorbic acid: Insights from molecular modelingAgrawal, Nikhil / Hossain, Md. Summon / Skelton, Adam A. / Muralidhar, Kambadur / Kaushik, Sandeep et al. | 2018
- 154
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QSAR classification-based virtual screening followed by molecular docking studies for identification of potential inhibitors of 5-lipoxygenaseShameera Ahamed, T.K. / Rajan, Vijisha K. / Sabira, K. / Muraleedharan, K. et al. | 2018
- 167
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Inhibitory mechanism of 5-bromo-3-indoleacetic acid for non-structural-3 helicase hepatitis C virus with dynamics correlation network analysisRahman, Mueed Ur / Rehman, Ashfaq Ur / Liu, Hao / Chen, Hai-Feng et al. | 2018
- 178
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Combination of phenolic profiles, pharmacological properties and in silico studies to provide new insights on Silene salsuginea from TurkeyZengin, Gokhan / Rodrigues, Maria João / Abdallah, Hassan H. / Custodio, Luisa / Stefanucci, Azzurra / Aumeeruddy, Muhammad Zakariyyah / Mollica, Adriano / Rengasamy, Kannan R.R. / Mahomoodally, Mohamad Fawzi et al. | 2018
- 187
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C3: An R package for cross-species compendium-based cell-type identificationKabir, Md Humayun / Djordjevic, Djordje / O'Connor, Michael D. / Ho, Joshua W.K. et al. | 2018
- 193
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Synthesis, molecular docking and comparative efficacy of various alkyl/aryl thioureas as antibacterial, antifungal and α-amylase inhibitorsLarik, Fayaz Ali / Saeed, Aamer / Faisal, Muahmmad / Channar, Pervaiz Ali / Azam, Syed Sikandar / Ismail, Hammad / Dilshad, Erum / Mirza, Bushra et al. | 2018
- 199
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Sequence-based analysis and prediction of lantibiotics: A machine learning approachPoorinmohammad, Naghmeh / Hamedi, Javad / Moghaddam, Mohammad Hossein Abbaspour Motlagh et al. | 2018
- 207
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The potential peptides against angiotensin-I converting enzyme through a virtual tripeptide-constructing libraryPanyayai, Thitima / Sangsawad, Papungkorn / Pacharawongsakda, Eakasit / Sawatdichaikul, Orathai / Tongsima, Sissades / Choowongkomon, Kiattawee et al. | 2018
- 214
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In silico exploration of aryl sulfonamide analogs as voltage-gated sodium channel 1.7 inhibitors by using 3D-QSAR, molecular docking study, and molecular dynamics simulationsWang, Mingxing / Wang, Ying / Kong, Dejiang / Jiang, Hailun / Wang, Jian / Cheng, Maosheng et al. | 2018
- 226
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Synthesis, docking, ADMET prediction, cytotoxicity and antimicrobial activity of oxathiadiazole derivativesYadav, Madhu / Srivastava, Ritika / Naaz, Farha / Singh, Ramendra K. et al. | 2018
- 240
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Insecticide-resistance mechanism of Plutella xylostella (L.) associated with amino acid substitutions in acetylcholinesterase-1: A molecular docking and molecular dynamics investigationSindhu, Thangaraj / Venkatesan, Thiruvengadam / Prabhu, Dhamodharan / Jeyakanthan, Jeyaraman / Gracy, Gandhi R. / Jalali, Sushil Kumar / Rai, Anil et al. | 2018
- 251
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Incorporating post translational modification information for enhancing the predictive performance of membrane transport proteinsLe, Nguyen Quoc Khanh / Sandag, Green Arther / Ou, Yu-Yen et al. | 2018
- 261
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Computational insight into dengue virus NS2B-NS3 protease inhibition: A combined ligand- and structure-based approachChen, Junning / Jiang, Hailun / Li, Fangfei / Hu, Baichun / Wang, Ying / Wang, MingXing / Wang, Jian / Cheng, Maosheng et al. | 2018
- 272
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Disulfide bridge formation to increase thermostability of DFPase enzyme: A computational studyMohammadi, Mozafar / Sakhteman, Amirhossein / Ahrari, Sajjad / Hassanpour, Kazem / Hashemi, Sayed Ebrahim / Farnoosh, Gholamreza et al. | 2018
- 279
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Identification of novel inhibitor against endonuclease subunit of Influenza pH1N1 polymerase: A combined molecular docking, molecular dynamics, MMPBSA, QMMM and ADME studies to combat influenza A virusesMohseni, Seyed Sajad / Nasri, Fariborz / Davari, Kambiz / Mirzaie, Sako / Moradzadegan, Atousa / Abdi, Fatemeh / Farzaneh, Farhad et al. | 2018
- 291
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Cysteine proteases secreted by the pinewood nematode, Bursaphelenchus xylophilus: In silico analysisCardoso, Joana M.S. / Fonseca, Luís / Egas, Conceição / Abrantes, Isabel et al. | 2018
- 297
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BRCA-analyzer: Automatic workflow for processing NGS reads of BRCA1 and BRCA2 genesKechin, Andrey / Khrapov, Evgeniy / Boyarskikh, Uljana / Kel, Alexander / Filipenko, Maxim et al. | 2018
- 307
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The potential of natural product vs neurodegenerative disorders: In silico study of artoflavanocoumarin as BACE-1 inhibitorRazzaghi-Asl, Nima / Karimi, Adibe / Ebadi, Ahmad et al. | 2018
- 318
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Pharmacophore-based virtual screening for identification of potential selective inhibitors of human histone deacetylase 6Uba, Abdullahi Ibrahim / Yelekçi, Kemal et al. | 2018
- 331
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Calcium interactions with Cx26 hemmichannel: Spatial association between MD simulations biding sites and variant pathogenicityAlbano, Juan M.R. / Mussini, Nahuel / Toriano, Roxana / Facelli, Julio C. / Ferraro, Marta B. / Pickholz, Mónica et al. | 2018
- 343
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Mutations and functional analysis of 14-3-3 stress response protein from Triticum aestivum: An evolutionary analysis through in silico structural biochemistry approachBhattacharya, Shreya / Banerjee, Arundhati / Sah, Pragati Prasad / Mal, Chittabrata / Ray, Sujay et al. | 2018
- 354
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Ant colony optimization with an automatic adjustment mechanism for detecting epistatic interactionsGuan, Boxin / Zhao, Yuhai / Sun, Wenjuan et al. | 2018
- 363
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Schistosomiasis: Snail-vector control, molecular modelling and dynamic studies of bioactive N-acetylglycoside saponins from Tetrapleura tetrapteraTaiwo, Bamigboye J. / Olubiyi, Olujide O. / Wang, Xue / Fisusi, Funmilola A. / Akinniyi, Ganiyu Akintayo / Van Heerden, Fanie R. / Strodel, Birgit et al. | 2018
- 373
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Intrinsic-overlapping co-expression module detection with application to Alzheimer's DiseaseManners, Hazel Nicolette / Roy, Swarup / Kalita, Jugal K. et al. | 2018
- 390
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Decoding the antineoplastic efficacy of Aplysin targeting Bcl-2: A de novo perspectiveShakeel, Eram / Sharma, Neha / Akhtar, Salman / Khan, Mohd. Kalim Ahmad / Lohani, Mohtashim / Siddiqui, Mohd. Haris et al. | 2018
- 402
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Antiviral phytocompounds target envelop protein to control Zika virusPriya, S. / Kumar, Nachimuthu Senthil / Hemalatha, S. et al. | 2018
- 413
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Transcriptome profilling analysis characterized the gene expression patterns responded to combined drought and heat stresses in soybeanWang, Libin / Liu, Lijun / Ma, Yuling / Li, Shuang / Dong, Shoukun / Zu, Wei et al. | 2018
- 430
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In silico analysis of nsSNPs in ABCB1 gene affecting breast cancer associated protein P-glycoprotein (P-gp)Chakraborty, Rajkumar / Gupta, Himani / Rahman, Razia / Hasija, Yasha et al. | 2018
- 442
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Identification of small molecule inhibitors for differentially expressed miRNAs in gastric cancerPavithra, Dhayalan / Sabitha, Kesavan / Rajkumar, Thangarajan et al. | 2018
- 455
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Corrigendum to "The molecular selectivity of UNC3866 inhibitor for Polycomb CBX7 protein from molecular dynamics simulation" [Comput. Biol. Chem. 74 (2018) 339–346]Liu, Hui / Li, Zhuoming / Li, Lang et al. | 2018
- 456
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The floral transcriptome of Machilus yunnanensis, a tree in the magnoliid family LauraceaeSong, Yu / Gan, Yi / Liu, Liangyu / Corlett, Richard T. et al. | 2018
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Editorial Board| 2018