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616 Newest Publications about the topic drug design

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Computer-aided drug design and virtual screening of targeted combinatorial libraries of mixed-ligand transition metal complexes of 2-butanone thiosemicarbazone

10-Jun-2018 | Author(s): Tahmeena Khan, Rumana Ahmad, Iqbal Azad, Saman Raza, Seema Joshi, Abdul Rahman Khan, Computational Biology and Chemistry, 2018

Publication date: August 2018 Source:Computational Biology and Chemistry, Volume 75 Author(s): Tahmeena Khan, Rumana Ahmad, Iqbal Azad, Saman Raza, Seema Joshi, Abdul Rahman Khan The present paper deals with in silico evaluation of 32 virtually designed transition metal ...

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Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1

10-Jun-2018 | Author(s): Yaping Li, Jiale Peng, Yeheng Zhou, Penghua Li, Yingying Li, Xingyong Liu, Abu Nasar Siddiq ..., Computational Biology and Chemistry, 2018

Publication date: Available online 4 June 2018 Source:Computational Biology and Chemistry Author(s): Yaping Li, Jiale Peng, Yeheng Zhou, Penghua Li, Yingying Li, Xingyong Liu, Abu Nasar Siddique, Li Zhang, Zhili Zuo Checkpoint kinase 1 (Chk1), a serine/threonine protein ...

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Carboxylic acid derivatives display potential selectivity for human histone deacetylase 6: Structure-based virtual screening, molecular docking and dynamics simulation studies

03-Jun-2018 | Author(s): Abdullahi Ibrahim Uba, Kemal Yelekçi, Computational Biology and Chemistry, 2018

Publication date: August 2018 Source:Computational Biology and Chemistry, Volume 75 Author(s): Abdullahi Ibrahim Uba, Kemal Yelekçi Human histone deacetylase 6 (HDAC6) has been shown to play a major role in oncogenic cell transformation via deacetylation of α-tubulin, making it a viable ...

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Viruses, Vol. 10, Pages 235: Current Strategies for Inhibition of Chikungunya Infection

03-May-2018 | Subudhi, Bharat Bhusan; Chattopadhyay, Soma ; Mishra, Priyadarsee ; Kumar, Abhishek, Viruses, 2018

Viruses, Vol. 10, Pages 235: Current Strategies for Inhibition of Chikungunya Infection Viruses doi: 10.3390/v10050235 Authors: Bharat Bhusan Subudhi Soma Chattopadhyay Priyadarsee Mishra Abhishek Kumar Increasing incidences of Chikungunya virus (CHIKV) infection and ...

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Viruses, Vol. 10, Pages 235: Current Strategies for Inhibition of Chikungunya Infection

03-May-2018 | Subudhi, Bharat Bhusan; Chattopadhyay, Soma ; Mishra, Priyadarsee ; Kumar, Abhishek, Viruses, 2018

Viruses, Vol. 10, Pages 235: Current Strategies for Inhibition of Chikungunya Infection Viruses doi: 10.3390/v10050235 Authors: Bharat Bhusan Subudhi Soma Chattopadhyay Priyadarsee Mishra Abhishek Kumar Increasing incidences of Chikungunya virus (CHIKV) infection and ...

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The expanding role of prodrugs in contemporary drug design and development

27-Apr-2018 | Jarkko Rautio; Nicholas A. Meanwell; Li Di; Michael J. Hageman, Nature Reviews Drug Discovery, 2018

The expanding role of prodrugs in contemporary drug design and development The expanding role of prodrugs in contemporary drug design and development, Published online: 27 April 2018; doi:10.1038/nrd.2018.46 Prodrug strategies can be used to overcome pharmacokinetic and pharmacodynamic issues in ...

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Scaffold-based novel SHP2 allosteric inhibitors design using Receptor-Ligand pharmacophore model, virtual screening and molecular dynamics

01-Apr-2018 | Author(s): Wen-Yan Jin, Ying Ma, Wei-Ya Li, Hong-Lian Li, Run-Ling Wang, Computational Biology and Chemistry, 2018

Publication date: Available online 8 February 2018 Source:Computational Biology and Chemistry Author(s): Wen-Yan Jin, Ying Ma, Wei-Ya Li, Hong-Lian Li, Run-Ling Wang SHP2 (SH2 domain-containing phosphatase 2), encoded by the PTPN11gene, is a non-receptor protein tyrosine ...

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Signal translational efficiency between mRNA expression and antibody-based protein expression for breast cancer and its subtypes from cell lines to tissue

29-Mar-2018 | Aida Yazdanparast; Lang Li; Milan Radovich; Lijun Cheng, International Journal of Computational Biology and Drug Design, 2018

Signal translational efficiency between mRNA expression and antibody-based protein expression for breast cancer and its subtypes from cell lines to tissueAida Yazdanparast; Lang Li; Milan Radovich; Lijun ChengInternational Journal of Computational Biology and Drug Design, Vol. 11, No. 1/2 (2018) ...

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Risk-associated and pathway-based method to detect association with Alzheimer's disease

29-Mar-2018 | Jeffrey Mitchel; Laszlo Prokai; Youping Deng; Fan Zhang; Robert Barber, International Journal of Computational Biology and Drug Design, 2018

Risk-associated and pathway-based method to detect association with Alzheimer's diseaseJeffrey Mitchel; Laszlo Prokai; Youping Deng; Fan Zhang; Robert BarberInternational Journal of Computational Biology and Drug Design, Vol. 11, No. 1/2 (2018) pp. 154 - 170Genes do not function alone but through ...

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Evaluation of biological and technical variations in low-input RNA-Seq and single-cell RNA-Seq

29-Mar-2018 | Fan Gao; Jae Mun Kim; JiHong Kim; Ming-Yi Lin; Charles Y. Liu; Jonathan J. Russin; Christopher P. Walker; William Ma ..., International Journal of Computational Biology and Drug Design, 2018

Evaluation of biological and technical variations in low-input RNA-Seq and single-cell RNA-SeqFan Gao; Jae Mun Kim; JiHong Kim; Ming-Yi Lin; Charles Y. Liu; Jonathan J. Russin; Christopher P. Walker; William Mack; Oleg V. Evgrafov; Robert H. Chow; James A. Knowles; Kai WangInternational Journal ...

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