https://orcid.org/0000-0003-2945-9694
Citations (24)
Keep up to date with the latest research on this topic with citation updates for this article.
Read on this site (12)
Rajdeep Kaur, Simranjeet Singh Narang, Pritpal Singh & Bhupesh Goyal. (2023) Structural and molecular insights into tacrine-benzofuran hybrid induced inhibition of amyloid-β peptide aggregation and BACE1 activity. Journal of Biomolecular Structure and Dynamics 41:22, pages 13211-13227.
Read now
Read now
Apneet Kaur & Bhupesh Goyal. (2023) In silico design and identification of new peptides for mitigating hIAPP aggregation in type 2 diabetes. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-16.
Read now
Read now
Mayra Ramos do Bomfim, Deyse Brito Barbosa, Paulo Batista de Carvalho, Alisson Marques da Silva, Tiago Alves de Oliveira, Alex Gutterres Taranto & Franco Henrique Andrade Leite. (2023) Identification of potential human beta-secretase 1 inhibitors by hierarchical virtual screening and molecular dynamics. Journal of Biomolecular Structure and Dynamics 41:10, pages 4560-4574.
Read now
Read now
Satya Narayan Sahu, Biswajit Mishra, Rojalin Sahu & Subrat Kumar Pattanayak. (2022) Molecular dynamics simulation perception study of the binding affinity performance for main protease of SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 40:6, pages 2444-2459.
Read now
Read now
Semanti Ghosh & Angshuman Bagchi. (2021) Protein dynamics and molecular motions study in relation to molecular interaction between proteins from sulfur oxidizing proteobacteria Allochromatium vinosum. Journal of Biomolecular Structure and Dynamics 39:8, pages 2771-2787.
Read now
Read now
Simranjeet Singh Narang, Suniba Shuaib, Deepti Goyal & Bhupesh Goyal. (2020) In silico-guided identification of potential inhibitors against β2m aggregation in dialysis-related amyloidosis. Journal of Biomolecular Structure and Dynamics 38:13, pages 3927-3941.
Read now
Read now
Maharajan Sivakumar, Kandasamy Saravanan, Velautham Saravanan, Srinivasan Sugarthi, Shankar Madan kumar, Mustafa Alhaji Isa, Perumal Rajakumar & Sanmargam Aravindhan. (2020) Discovery of new potential triplet acting inhibitor for Alzheimer’s disease via X-ray crystallography, molecular docking and molecular dynamics. Journal of Biomolecular Structure and Dynamics 38:7, pages 1903-1917.
Read now
Read now
Srishti Sharma, Namrata Singh, Eugenie Nepovimova, Jan Korabecny, Kamil Kuca, Manmohan L. Satnami & Kallol K. Ghosh. (2020) Interaction of synthesized nitrogen enriched graphene quantum dots with novel anti-Alzheimer’s drugs: spectroscopic insights. Journal of Biomolecular Structure and Dynamics 38:6, pages 1822-1837.
Read now
Read now
Simranjeet Singh Narang, Deepti Goyal & Bhupesh Goyal. (2020) Inhibition of Alzheimer’s amyloid-β42 peptide aggregation by a bi-functional bis-tryptoline triazole: key insights from molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 38:6, pages 1598-1611.
Read now
Read now
Suniba Shuaib, Rajneet Kaur Saini, Deepti Goyal & Bhupesh Goyal. (2020) Impact of K16A and K28A mutation on the structure and dynamics of amyloid-β42 peptide in Alzheimer’s disease: key insights from molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 38:3, pages 708-721.
Read now
Read now
Abdulilah Ece. (2020) Towards more effective acetylcholinesterase inhibitors: a comprehensive modelling study based on human acetylcholinesterase protein–drug complex. Journal of Biomolecular Structure and Dynamics 38:2, pages 565-572.
Read now
Read now
Kandasamy Saravanan, Magudeeswaran Sivanandam, Govindasamy Hunday, Lakshmanan Mathiyalagan & Poomani Kumaradhas. (2019) Investigation of intermolecular interactions and stability of verubecestat in the active site of BACE1: Development of first model from QM/MM-based charge density and MD analysis. Journal of Biomolecular Structure and Dynamics 37:9, pages 2339-2354.
Read now
Read now
Articles from other publishers (12)
Deyse B. Barbosa, Mayra R. do Bomfim, Tiago A. de Oliveira, Alisson M. da Silva, Alex G. Taranto, Jorddy N. Cruz, Paulo B. de Carvalho, Joaquín M. Campos, Cleydson B. R. Santos & Franco H. A. Leite. (2023) Development of Potential Multi-Target Inhibitors for Human Cholinesterases and Beta-Secretase 1: A Computational Approach. Pharmaceuticals 16:12, pages 1657.
Crossref
Crossref
Géssica Oliveira Mendes, Moysés Fagundes de Araújo Neto, Deyse Brito Barbosa, Mayra Ramos do Bomfim, Lorena Silva Matos Andrade, Paulo Batista de Carvalho, Tiago Alves de Oliveira, Daniel Luciano Falkoski, Eduardo Habib Bechelane Maia, Marcelo Siqueira Valle, Laila Cristina Moreira Damázio, Alisson Marques da Silva, Alex Gutterres Taranto & Franco Henrique Andrade Leite. (2023) Identification of Potential Multitarget Compounds against Alzheimer’s Disease through Pharmacophore-Based Virtual Screening. Pharmaceuticals 16:12, pages 1645.
Crossref
Crossref
Géssica Oliveira Mendes, Samuel Silva da Rocha Pita, Paulo Batista de Carvalho, Michel Pires da Silva, Alex Gutterres Taranto & Franco Henrique Andrade Leite. (2023) Molecular Multi-Target Approach for Human Acetylcholinesterase, Butyrylcholinesterase and β-Secretase 1: Next Generation for Alzheimer’s Disease Treatment. Pharmaceuticals 16:6, pages 880.
Crossref
Crossref
Gurmeet Kaur & Bhupesh Goyal. (2022) Deciphering the Molecular Mechanism of Inhibition of β‐Secretase (BACE1) Activity by a 2‐Amino‐imidazol‐4‐one Derivative. ChemistrySelect 7:39.
Crossref
Crossref
Igor José dos Santos Nascimento, Thiago Mendonça de Aquino & Edeildo Ferreira da Silva-Júnior. (2022)
Repurposing FDA-approved Drugs Targeting SARS-CoV2 3CL
pro
: A
Study by Applying Virtual Screening, Molecular Dynamics, MM-PBSA
Calculations and Covalent Docking
. Letters in Drug Design & Discovery 19:7, pages 637-653.
Crossref
Crossref
Hridoy R. Bairagya, Alvea Tasneem, Gyan Prakash Rai & Saima Reyaz. (2021) New biochemical insights into the dynamics of water molecules at the GMP or IMP binding site of human GMPR enzyme: A molecular dynamics study. Proteins: Structure, Function, and Bioinformatics 90:1, pages 200-217.
Crossref
Crossref
Saima Reyaz, Alvea Tasneem, Gyan Prakash Rai & Hridoy R. Bairagya. (2021) Investigation of structural analogs of hydroxychloroquine for SARS-CoV-2 main protease (Mpro): A computational drug discovery study. Journal of Molecular Graphics and Modelling 109, pages 108021.
Crossref
Crossref
Hridoy R. Bairagya, Alvea Tasneem, Gyan Prakash Rai & Saima Reyaz. (2020) Structural and Dynamical Impact of Water Molecules at Substrate- or Product-Binding Sites in Human GMPR Enzyme: A Study by Molecular Dynamics Simulations. The Journal of Physical Chemistry B 125:5, pages 1351-1362.
Crossref
Crossref
Simranjeet Singh Narang, Deepti Goyal & Bhupesh Goyal. (2019) Molecular insights into the inhibitory mechanism of bi-functional bis-tryptoline triazole against β-secretase (BACE1) enzyme. Amino Acids 51:10-12, pages 1593-1607.
Crossref
Crossref
Chung-Hang Leung, Jia-Tong Zhang, Guan-Jun Yang, Hao Liu, Quan-Bin Han & Dik-Lung Ma. (2019) Emerging Screening Approaches in the Development of Nrf2–Keap1 Protein–Protein Interaction Inhibitors. International Journal of Molecular Sciences 20:18, pages 4445.
Crossref
Crossref
Kandasamy Saravanan & Poomani Kumaradhas. (2019) Acylguanidine-BACE1 complex: Insights of intermolecular interactions and dynamics. Journal of Theoretical Biology 464, pages 33-49.
Crossref
Crossref
Sidra Khalid, Muhammad Ammar Zahid, Hussain Ali, Yeong S. Kim & Salman Khan. (2018) Biaryl scaffold-focused virtual screening for anti-aggregatory and neuroprotective effects in Alzheimer’s disease. BMC Neuroscience 19:1.
Crossref
Crossref