Shubhangi Kandwal
A5081602937- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- SARS-CoV-2 and COVID-19 Research
- interferon and immune responses
- Animal Virus Infections Studies
- Computational Drug Discovery Methods
- Chronic Lymphocytic Leukemia Research
- Viral gastroenteritis research and epidemiology
- RNA regulation and disease
- Monoclonal and Polyclonal Antibodies Research
- Viral Infectious Diseases and Gene Expression in Insects
- Synthesis of β-Lactam Compounds
- Bioactive Compounds and Antitumor Agents
- Synthesis and Catalytic Reactions
- Carbohydrate Chemistry and Synthesis
- Cancer-related Molecular Pathways
- Innovative Microfluidic and Catalytic Techniques Innovation
- thermodynamics and calorimetric analyses
- Respiratory viral infections research
- Neutrophil, Myeloperoxidase and Oxidative Mechanisms
- Acute Lymphoblastic Leukemia research
- Advanced Biosensing Techniques and Applications
- Synthesis and Biological Activity
- Bioinformatics and Genomic Networks
- Viral Infections and Vectors
Trinity College Dublin
2020-2025
Dublin City University
2024-2025
A critical assessment of computational hit finding experiments (CACHE) challenge was conducted to predict ligands for the SARS-CoV-2 Nsp13 helicase RNA binding site, a highly conserved COVID-19 target. Twenty-three participating teams comprised chemists and data scientists used protein structure from fragment-screening paired with advanced machine learning methods each up 100 inhibitory ligands. Across all teams, 1957 compounds were predicted subsequently procured commercial catalogs...
A critical assessment of computational hit finding experiments (CACHE) challenge was conducted to predict ligands for the SARS-CoV-2 Nsp13 helicase RNA binding site, a highly conserved COVID-19 target. Twenty-three participating teams comprised chemists and data scientists used protein structure from fragment-screening paired with advanced machine learning methods each up 100 inhibitory ligands. Across all teams, 1957 compounds were predicted subsequently procured commercial catalogs...
A critical assessment of computational hit finding experiments (CACHE) challenge was conducted to predict ligands for the SARS-CoV-2 Nsp13 helicase RNA binding site, a highly conserved COVID-19 target. Twenty-three participating teams comprised chemists and data scientists used protein structure from fragment-screening paired with advanced machine learning methods each up 100 inhibitory ligands. Across all teams, 1957 compounds were predicted subsequently procured commercial catalogs...
Abstract Introduction: HER4, a tyrosine kinase receptor belonging to the Human Epidermal Growth Factor/HER/ErbB-family, has complex biology (four isoforms (JMa-CYT1/2 and JMb-CYT1/2) tissue specific oncogenic or tumor suppressor roles). Cutaneous melanoma (CM) showed highest HER4 genomic alteration frequency (17.34%) across 33 cancer types (cBioPortal). To investigate potential role of in CM, SKMEL24 CM cell line was CRISPR/Cas9-edited contain with 30bp deletion (DEL) extracellular domain....
Human respiratory viruses are the most prevalent cause of disease in humans, with highly infectious RSV being leading infant bronchiolitis and viral pneumonia. Responses to type I IFNs primary defense against infection. However, proteins have been shown antagonize IFN-mediated antiviral innate immunity, specifically dampening intracellular IFN signaling. Respiratory epithelial cells main target for In this study, we found RSV-NS1 interfered IFN-α JAK/STAT signaling pathway cells. expression...
The COVID-19 pandemic has negatively affected human life globally. It led to economic crises and health emergencies across the world, spreading rapidly among population caused many deaths. Currently, there are no treatments available for so is an urgent need develop therapeutic interventions that could be used against novel coronavirus infection. In this research, we computational drug design technologies repurpose existing drugs as inhibitors of SARS-CoV-2 viral proteins. Broad Institute's...
A series of novel 3-(prop-1-en-2-yl)azetidin-2-one, 3-allylazetidin-2-one and 3-(buta-1,3-dien-1-yl)azetidin-2-one analogues combretastatin A-4 (CA-4) were designed synthesised as colchicine-binding site inhibitors (CBSI) in which the ethylene bridge CA-4 was replaced with a β-lactam (2-azetidinone) scaffold. These compounds, together related prodrugs, evaluated for their antiproliferative activity, cell cycle effects ability to inhibit tubulin assembly. The compounds demonstrated...
Middle East Respiratory Syndrome Coronavirus (MERS-CoV) is an enveloped, positive-sense RNA virus that emerged in 2012, causing sporadic cases and localized outbreaks of severe respiratory illness with high fatality rates. A characteristic feature the immune response to MERS-CoV infection low type I IFN induction, despite its importance viral clearance. The non-structural proteins (nsps) other coronaviruses have been shown block production. However, role nsp5 from induction human cells...
With the advent of computer-aided drug design (CADD), traditional physical testing thousands molecules has now been replaced by target-focused discovery, where potentially bioactive are predicted computer software before their synthesis. However, despite being a significant breakthrough, CADD still faces various limitations and challenges. The increasing availability data on small created need to streamline sourcing from different databases automate processing cleaning into form that can be...
Chronic lymphocytic leukaemia (CLL) is a malignancy of the immune B lymphocyte cells and most common diagnosed in developed countries. In this paper, we report synthesis antiproliferative effects series (E)-9-(2-nitrovinyl)anthracenes related nitrostyrene compounds CLL cell lines also Burkitt's lymphoma (BL) lines, rare form non-Hodgkin's B-cell lymphoma. The scaffold was identified as lead structure for development effective targeting BL CLL. structurally diverse nitrostyrenes synthesised...
Chronic lymphocytic leukemia (CLL) is a malignancy of mature B cells, and it the most frequent form diagnosed in Western countries. It characterized by proliferation accumulation neoplastic lymphocytes blood, lymph nodes, bone marrow spleen. We report synthesis antiproliferative effects series novel ethanoanthracene compounds CLL cell lines. Structural modifications were achieved via Diels-Alder reaction 9-(2-nitrovinyl)anthracene 3-(anthracen-9-yl)-1-arylprop-2-en-1-ones (anthracene...
Abstract The COVID-19 pandemic has negatively affected human life globally. It led to economic crises and health emergencies across the world, spreading rapidly among population caused many deaths. Currently, there are no treatments available for so is an urgent need develop therapeutic interventions that could be used against novel coronavirus infection. In this research, we computational drug design technologies repurpose existing drugs as inhibitors of SARS-CoV-2 viral proteins. Broad...