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Journal of Biomolecular Structure and Dynamics Volume 39, 2021 - Issue 1
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Research Articles

Identification of potential inhibitors against pathogenic missense mutations of PMM2 using a structure-based virtual screening approach

D. Thirumal KumarSchool of Bio Sciences and Technology, Vellore Institute of Technology, Vellore, India;
,
Nikita JainSchool of Bio Sciences and Technology, Vellore Institute of Technology, Vellore, India;
,
S. Udhaya KumarSchool of Bio Sciences and Technology, Vellore Institute of Technology, Vellore, India;
,
C. George Priya DossSchool of Bio Sciences and Technology, Vellore Institute of Technology, Vellore, India; Correspondence[email protected]
&
Hatem ZayedDepartment of Biomedical Sciences, College of Health and Sciences, Qatar University, Doha, QatarCorrespondence[email protected]
Pages 171-187 | Received 01 Oct 2019, Accepted 13 Dec 2019, Published online: 06 Jan 2020

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Soumalya Sarkar, Vivek K. Gupta, Samridhi Sharma, Ting Shen, Veer Gupta, Mehdi Mirzaei, Stuart L. Graham & Nitin Chitranshi. (2023) Computational refinement identifies functional destructive single nucleotide polymorphisms associated with human retinoid X receptor gene. Journal of Biomolecular Structure and Dynamics 41:4, pages 1458-1478.
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Balu Kamaraj, Abeer Mohammed Al-Subaie, Fazil Ahmad, Krishna Mohan Surapaneni & Khaldoon Alsamman. (2021) Effect of novel leukemia mutations (K75E & E222K) on interferon regulatory factor 1 and its interaction with DNA: insights from molecular dynamics simulations and docking studies. Journal of Biomolecular Structure and Dynamics 39:14, pages 5235-5247.
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Lili Dong, Shengqiang Shen, Yefei Xu, Leng Wang, Qing Yang, Jianjun Zhang & Huizhe Lu. (2021) Identification of novel insect β-N-acetylhexosaminidase OfHex1 inhibitors based on virtual screening, biological evaluation, and molecular dynamics simulation. Journal of Biomolecular Structure and Dynamics 39:5, pages 1735-1743.
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Thirumal Kumar D, Nikita Jain, Udhaya Kumar S, Prangya Paramita Jena, Siva Ramamoorthy, George Priya Doss C & Hatem Zayed. (2021) Molecular dynamics simulations to decipher the structural and functional consequences of pathogenic missense mutations in the galactosylceramidase (GALC) protein causing Krabbe’s disease. Journal of Biomolecular Structure and Dynamics 39:5, pages 1795-1810.
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Articles from other publishers (9)

Ambritha Balasundaram & C. George Priya Doss. (2022) Unraveling the Structural Changes in the DNA-Binding Region of Tumor Protein p53 (TP53) upon Hotspot Mutation p53 Arg248 by Comparative Computational Approach. International Journal of Molecular Sciences 23:24, pages 15499.
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Noor Ahmad Shaik, Najla Bint Saud Al-Saud, Thamer Abdulhamid Aljuhani, Kaiser Jamil, Huda Alnuman, Deema Aljeaid, Nasreen Sultana, Ashraf AbdulRahman El-Harouni, Zuhier Ahmed Awan, Ramu Elango & Babajan Banaganapalli. (2022) Structural characterization and conformational dynamics of alpha-1 antitrypsin pathogenic variants causing alpha-1-antitrypsin deficiency. Frontiers in Molecular Biosciences 9.
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Cristina Segovia‐Falquina, Alicia Vilas, Fátima Leal, Francisco del Caño‐Ochoa, Edwin P. Kirk, Magdalena Ugarte, Santiago Ramón‐Maiques, Alejandra Gámez & Belén Pérez. (2022) A functional platform for the selection of pathogenic variants of PMM2 amenable to rescue via the use of pharmacological chaperones . Human Mutation 43:10, pages 1430-1442.
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D. Thirumal Kumar, Nishaat Shaikh, S. Udhaya Kumar & C. George Priya Doss. 2022. Disorders of Protein Synthesis. Disorders of Protein Synthesis 89 109 .
K. Priyanka, N. Madhana Priya & R. Magesh. (2021) A computational approach to analyse the amino acid variants of GLB1 protein causing GM1 Gangliosidosis. Metabolic Brain Disease 36:3, pages 499-508.
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D. Thirumal Kumar, S. Udhaya Kumar, R. Magesh & C. George Priya Doss. 2021. 49 71 .
Udhaya Kumar S.Srivarshini Sankar, Salma Younes, Thirumal Kumar D.Muneera Naseer Ahmad, Sarah Samer Okashah, Balu Kamaraj, Abeer Mohammed Al-Subaie, George Priya Doss C.Hatem Zayed. (2020) Deciphering the Role of Filamin B Calponin-Homology Domain in Causing the Larsen Syndrome, Boomerang Dysplasia, and Atelosteogenesis Type I Spectrum Disorders via a Computational Approach. Molecules 25:23, pages 5543.
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A. Vilas, P. Yuste-Checa, D. Gallego, L.R. Desviat, M. Ugarte, C. Pérez-Cerda, A. Gámez & B. Pérez. (2020) Proteostasis regulators as potential rescuers of PMM2 activity. Biochimica et Biophysica Acta (BBA) - Molecular Basis of Disease 1866:7, pages 165777.
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Bogdan Doroftei, Loredana Nemtanu, Ovidiu-Dumitru Ilie, Gabriela Simionescu, Iuliu Ivanov, Emil Anton, Maria Puiu & Radu Maftei. (2020) In Vitro Fertilisation (IVF) Associated with Preimplantation Genetic Testing for Monogenic Diseases (PGT-M) in a Romanian Carrier Couple for Congenital Disorder of Glycosylation Type Ia (CDG-Ia): A Case Report. Genes 11:6, pages 697.
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