Journal ArticleDOI
Withanone binds to mortalin and abrogates mortalin-p53 complex: computational and experimental evidence.
Abhinav Grover,Didik Priyandoko,Ran Gao,Ashutosh Shandilya,Nashi Widodo,Virendra S. Bisaria,Sunil C. Kaul,Renu Wadhwa,Durai Sundar +8 more
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TLDR
A molecular interaction basis that could be used for screening and development of anticancer drugs with low toxicity to normal cells is established and accurate knowledge of the 3D structure of mortalin would further enhance the potential of such analyses to understand the molecular basis ofmortalin biology and mortalin based cancer therapy.About:
This article is published in The International Journal of Biochemistry & Cell Biology.The article was published on 2012-03-01. It has received 61 citations till now. The article focuses on the topics: Centrosome duplication.read more
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TPX2: of spindle assembly, DNA damage response, and cancer.
TL;DR: This review provides an historic overview of the discovery of TPX2 and summarizes its cytoskeletal and signaling roles with relevance to cancer therapies and aims to reconcile discrepancies between the experimental and pathological effects of TPx2 overexpression.
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Differential activities of the two closely related withanolides, Withaferin A and Withanone: bioinformatics and experimental evidences.
Kirti Vaishnavi,Nishant Saxena,Nishant Saxena,Navjot Shah,Navjot Shah,Rumani Singh,Rumani Singh,Kavyashree Manjunath,Muthukumarasamy Uthayakumar,Shankar Prasad Kanaujia,Sunil C. Kaul,Kanagaraj Sekar,Renu Wadhwa +12 more
TL;DR: It is demonstrated that Wi-A that binds strongly to the selected targets acts as a strong cytotoxic agent both for normal and cancer cells, and Wi-N, on the other hand, has a weak binding to the targets; it showed milder cytotoxicity towards cancer cells and was safe for normal cells.
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Safety assessment of Withania somnifera extract standardized for Withaferin A: Acute and sub-acute toxicity study
TL;DR: The no-observed-adverse-effect-level of WSE is 2000 mg/kg body weight, the highest level tested, and the potential adverse effects of a standardized Withania somnifera extract following acute and sub chronic administration are investigated.
Journal ArticleDOI
Relevance of mortalin to cancer cell stemness and cancer therapy.
TL;DR: It is reported that upregulation of mortalin contributes to cancer cell stemness and low doses of anti-mortalin molecules caused similar sensitization of cancer cells to chemotherapeutic drugs and hence are potential candidates for effective cancer chemotherapy.
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Mortalin - a multipotent chaperone regulating cellular processes ranging from viral infection to neurodegeneration.
Z. Flachbartová,B. Kovacech +1 more
TL;DR: The functions of mortalin are summarized, its pathological implications in neuronal dysfunction and possible roles in neurodegenerative diseases are summarized and its roles in membrane trafficking and viral release regulation are summarized.
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The Protein Data Bank
Helen M. Berman,John D. Westbrook,Zukang Feng,Gary L. Gilliland,Talapady N. Bhat,Helge Weissig,Ilya N. Shindyalov,Philip E. Bourne +7 more
TL;DR: The goals of the PDB are described, the systems in place for data deposition and access, how to obtain further information and plans for the future development of the resource are described.
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Comparison of simple potential functions for simulating liquid water
TL;DR: In this article, the authors compared the Bernal Fowler (BF), SPC, ST2, TIPS2, TIP3P, and TIP4P potential functions for liquid water in the NPT ensemble at 25°C and 1 atm.
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Molecular dynamics with coupling to an external bath.
TL;DR: In this paper, a method is described to realize coupling to an external bath with constant temperature or pressure with adjustable time constants for the coupling, which can be easily extendable to other variables and to gradients, and can be applied also to polyatomic molecules involving internal constraints.
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Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes
TL;DR: In this paper, a numerical algorithm integrating the 3N Cartesian equations of motion of a system of N points subject to holonomic constraints is formulated, and the relations of constraint remain perfectly fulfilled at each step of the trajectory despite the approximate character of numerical integration.