Journal of Biomolecular Structure and Dynamics, Volume 36, Issue 16 (2018)

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Journal of Biomolecular Structure and Dynamics, Volume 36, Issue 16 (2018)

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Research Article

Article
Structure-activity relationship on DNA binding and anticancer activities of a family of mixed-ligand oxidovanadium(V) hydrazone complexes
Debashis Patra, Subhabrata Paul, Nayim Sepay, Rita Kundu & Tapas Ghosh
Pages: 4143-4155
Published online: 13 Dec 2017
AbstractforStructure-activity relationship on DNA binding and anticancer activities of a family of mixed-ligand oxidovanadium(V) hydrazone complexes | Full Text | References | PDF (2.7 MB) | Supplemental
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Article
Folate receptor-targeted multimodal fluorescence mesosilica nanoparticles for imaging, delivery palladium complex and in vitro G-quadruplex DNA interaction
Marziyeh Poshteh Shirani, Behzad Rezaei, Taghi Khayamian, Mohammad Dinari, Kazem Karami, Zohreh Mehri-Lighvan, Fazileh Hosseini Shamili, Mohammd Ramazani & Mona Alibolandi
Pages: 4156-4169
Published online: 11 Dec 2017
AbstractforFolate receptor-targeted multimodal fluorescence mesosilica nanoparticles for imaging, delivery palladium complex and in vitro G-quadruplex DNA interaction | Full Text | References | PDF (3.1 MB) | Supplemental
  • 262 Views
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Article
Metal complexes of naphthoquinone based ligand: synthesis, characterization, protein binding, DNA binding/cleavage and cytotoxicity studies
A. Kosiha, C. Parthiban, Samuele Ciattini, Laura Chelazzi & Kuppanagounder P. Elango
Pages: 4170-4181
Published online: 20 Dec 2017
AbstractforMetal complexes of naphthoquinone based ligand: synthesis, characterization, protein binding, DNA binding/cleavage and cytotoxicity studies | Full Text | References | PDF (2.4 MB) | Supplemental
  • 421 Views
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Article
Preferences of AAA/AAG codon recognition by modified nucleosides, τm5s2U34 and t6A37 present in tRNALys
Kailas D. Sonawane, Asmita S. Kamble & Prayagraj M. Fandilolu
Pages: 4182-4196
Published online: 27 Dec 2017
AbstractforPreferences of AAA/AAG codon recognition by modified nucleosides, τm5s2U34 and t6A37 present in tRNALys | Full Text | References | PDF (5.3 MB)
  • 195 Views
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Article
Computational and in vitro insights on snake venom phospholipase A2 inhibitor of phytocompound ikshusterol3-O-glucoside of Clematis gouriana Roxb. ex DC.
Karthikeyan Muthusamy, Sathishkumar Chinnasamy, Subbiah Nagarajan & Thirunavukkarasu Sivaraman
Pages: 4197-4208
Published online: 14 Dec 2017
AbstractforComputational and in vitro insights on snake venom phospholipase A2 inhibitor of phytocompound ikshusterol3-O-glucoside of Clematis gouriana Roxb. ex DC. | Full Text | References | PDF (1.6 MB) | Supplemental
  • 161 Views
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Article
In silico evaluation of the resistance of the T790M variant of epidermal growth factor receptor kinase to cancer drug Erlotinib
Inderpal Singh, Shashank Singh, Vijeshwar Verma, Vladimir N. Uversky & Ratna Chandra
Pages: 4209-4219
Published online: 11 Dec 2017
AbstractforIn silico evaluation of the resistance of the T790M variant of epidermal growth factor receptor kinase to cancer drug Erlotinib | Full Text | References | PDF (3.8 MB) | Supplemental
  • 253 Views
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Article
Potential natural mTOR inhibitors screened by in silico approach and suppress hepatic stellate cells activation
Varadharajan Thiyagarajan, Kuan-Wei Lee, Max K. Leong & Ching-Feng Weng
Pages: 4220-4234
Published online: 12 Dec 2017
AbstractforPotential natural mTOR inhibitors screened by in silico approach and suppress hepatic stellate cells activation | Full Text | References | PDF (4.6 MB) | Supplemental
  • 336 Views
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Article
ROS-mediated heme degradation and cytotoxicity induced by iron nanoparticles: hemoglobin and lymphocyte cells as targets
Sepideh Mirzaei, Zari Hadadi, Farnoosh Attar, Seyyedeh Elaheh Mousavi, Seyed Shahaboddin Zargar, Aida Tajik, Ali Akbar Saboury, Seyed Mahdi Rezayat & Mojtaba Falahati
Pages: 4235-4245
Published online: 18 Dec 2017
AbstractforROS-mediated heme degradation and cytotoxicity induced by iron nanoparticles: hemoglobin and lymphocyte cells as targets | Full Text | References | PDF (1.6 MB)
  • 224 Views
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Review Article

Review Article
Loading efficacy and binding analysis of retinoids with milk proteins: a short review
D. Agudelo, P. Bourassa, J. Bariyanga & H.A. Tajmir-Riahi
Pages: 4246-4254
Published online: 13 Dec 2017
AbstractforLoading efficacy and binding analysis of retinoids with milk proteins: a short review | Full Text | References | PDF (3.8 MB)
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Research Article

Article
The inhibitory performance of flavonoid cyanidin-3-sambubiocide against H274Y mutation in H1N1 influenza virus
S. Kannan & P. Kolandaivel
Pages: 4255-4269
Published online: 20 Dec 2017
AbstractforThe inhibitory performance of flavonoid cyanidin-3-sambubiocide against H274Y mutation in H1N1 influenza virus | Full Text | References | PDF (9 MB) | Supplemental
  • 259 Views
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Article
Antibiotics potentiating potential of catharanthine against superbug Pseudomonas aeruginosa
Gaurav Raj Dwivedi, Rekha Tyagi, Sanchita, Shubhandra Tripathi, Sanghamitra Pati, Santosh K. Srivastava, Mahendra P. Darokar & Ashok Sharma
Pages: 4270-4284
Published online: 02 Jan 2018
AbstractforAntibiotics potentiating potential of catharanthine against superbug Pseudomonas aeruginosa | Full Text | References | PDF (2.3 MB) | Supplemental
  • 433 Views
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Article
Understanding the interactions of different substrates with wild-type and mutant acylaminoacyl peptidase using molecular dynamics simulations
Jingxuan Zhu, Yan Wang, Xin Li, Weiwei Han & Li Zhao
Pages: 4285-4302
Published online: 20 Dec 2017
AbstractforUnderstanding the interactions of different substrates with wild-type and mutant acylaminoacyl peptidase using molecular dynamics simulations | Full Text | References | PDF (7.4 MB)
  • 179 Views
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Article
Unravelling novel congeners from acetyllysine mimicking ligand targeting a lysine acetyltransferase PCAF bromodomain
Venkatesan Suryanarayanan & Sanjeev Kumar Singh
Pages: 4303-4319
Published online: 04 Jan 2018
AbstractforUnravelling novel congeners from acetyllysine mimicking ligand targeting a lysine acetyltransferase PCAF bromodomain | Full Text | References | PDF (5.1 MB) | Supplemental
  • 226 Views
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Article
Combined pharmacophore, virtual screening and molecular dynamics studies to identify Bruton’s tyrosine kinase inhibitors
Seethalakshmi Sakthivel & S.K.M. Habeeb
Pages: 4320-4337
Published online: 03 Jan 2018
AbstractforCombined pharmacophore, virtual screening and molecular dynamics studies to identify Bruton’s tyrosine kinase inhibitors | Full Text | References | PDF (7.3 MB) | Supplemental
  • 388 Views
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Article
Sequence fingerprints distinguish erroneous from correct predictions of intrinsically disordered protein regions
Konda Mani Saravanan, A. Keith Dunker & Sankaran Krishnaswamy
Pages: 4338-4351
Published online: 27 Dec 2017
AbstractforSequence fingerprints distinguish erroneous from correct predictions of intrinsically disordered protein regions | Full Text | References | PDF (2.1 MB) | Supplemental
  • 224 Views
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Article
Molecular modeling and dynamic simulations of agglutinin-like family members from Candida albicans: New insights into potential targets for the treatment of candidiasis
Natalia L. von Ranke, Murilo L. Bello, Lucio M. Cabral, Helena C. Castro & Carlos R. Rodrigues
Pages: 4352-4365
Published online: 04 Jan 2018
AbstractforMolecular modeling and dynamic simulations of agglutinin-like family members from Candida albicans: New insights into potential targets for the treatment of candidiasis | Full Text | References | PDF (9.2 MB) | Supplemental
  • 173 Views
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Article
Modeling the full length HIV-1 Gag polyprotein reveals the role of its p6 subunit in viral maturation and the effect of non-cleavage site mutations in protease drug resistance
Chinh Tran-To Su, Chee-Keong Kwoh, Chandra Shekhar Verma & Samuel Ken-En Gan
Pages: 4366-4377
Published online: 27 Dec 2017
AbstractforModeling the full length HIV-1 Gag polyprotein reveals the role of its p6 subunit in viral maturation and the effect of non-cleavage site mutations in protease drug resistance | Full Text | References | PDF (5.5 MB) | Supplemental
  • 385 Views
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Article
On the relationship of anthranilic derivatives structure and the FXR (Farnesoid X receptor) agonist activity
Thales Kronenberger, Björn Windshügel, Carsten Wrenger, Kathia M. Honorio & Vinicius G. Maltarollo
Pages: 4378-4391
Published online: 10 Jan 2018
AbstractforOn the relationship of anthranilic derivatives structure and the FXR (Farnesoid X receptor) agonist activity | Full Text | References | PDF (4.4 MB) | Supplemental
  • 202 Views
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Article
Structural plasticity and thermal stability of the histone-like protein from Spiroplasma melliferum are due to phenylalanine insertions into the conservative scaffold
Vladimir I. Timofeev, Dmitry A. Altukhov, Anna A. Talyzina, Yulia K. Agapova, Anna V. Vlaskina, Dmitry A. Korzhenevskiy, Sergey Yu. Kleymenov, Eduard V. Bocharov & Tatiana V. Rakitina
Pages: 4392-4404
Published online: 07 Jan 2018
AbstractforStructural plasticity and thermal stability of the histone-like protein from Spiroplasma melliferum are due to phenylalanine insertions into the conservative scaffold | Full Text | References | PDF (5.8 MB) | Supplemental
  • 189 Views
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Letter to the Editor

Letter
Not all AMLETs are made equal: complexes of cow and camel α-lactalbumin with oleic acid show different structure and stability
Leonid Breydo, Hussein A. Almehdar, Esmail M. El-Fakharany, Elrashdy M. Redwan & Vladimir N. Uversky
Pages: 4405-4412
Published online: 02 Jan 2018
First Page PreviewforNot all AMLETs are made equal: complexes of cow and camel α-lactalbumin with oleic acid show different structure and stability | Full Text | References | PDF (2.5 MB)
  • 113 Views
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Research Article

Article
Prediction of zinc binding sites in proteins using sequence derived information
Abhishikha Srivastava & Manish Kumar
Pages: 4413-4423
Published online: 15 Jan 2018
AbstractforPrediction of zinc binding sites in proteins using sequence derived information | Full Text | References | PDF (2.2 MB) | Supplemental
  • 424 Views
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