[HTML][HTML] Combining structure and genomics to understand antimicrobial resistance

T Tunstall, S Portelli, J Phelan, TG Clark… - Computational and …, 2020 - Elsevier
Antimicrobials against bacterial, viral and parasitic pathogens have transformed human and
animal health. Nevertheless, their widespread use (and misuse) has led to the emergence of …

Anti-bacterial efficacy of bio-fabricated silver nanoparticles of aerial part of Moringa oleifera lam: Rapid green synthesis, In-Vitro and In-Silico screening

NP Neupane, AK Kushwaha, AK Karn… - Biocatalysis and …, 2022 - Elsevier
Purpose Silver nanoparticles have been extensively used in pharmaceutical sciences as
therapeutic agents, including in drug delivery but their toxicity towards healthy tissue is not …

Repurposing immune boosting and anti-viral efficacy of Parkia bioactive entities as multi-target directed therapeutic approach for SARS-CoV-2: exploration of lead …

R Dinata, N Nisa, C Arati, B Rasmita… - Journal of …, 2024 - Taylor & Francis
The COVID-19 pandemic has caused adverse health (severe respiratory, enteric and
systemic infections) and environmental impacts that have threatened public health and the …

[HTML][HTML] Protegrin-2, a potential inhibitor for targeting SARS-CoV-2 main protease Mpro

Z Jan, AM Geethakumari, KH Biswas… - Computational and …, 2023 - Elsevier
Background SARS-CoV-2 variants continue to spread throughout the world and cause
waves of COVID-19 infections. It is important to find effective antiviral drugs to combat SARS …

Atomistic simulations reveal impacts of missense mutations on the structure and function of SynGAP1

AE Ali, LL Li, MJ Courtney… - Briefings in …, 2024 - academic.oup.com
De novo mutations in the synaptic GTPase activating protein (SynGAP) are associated with
neurological disorders like intellectual disability, epilepsy, and autism. SynGAP is also …

A computational overview of integrase strand transfer inhibitors (INSTIs) against emerging and evolving drug-resistant HIV-1 integrase mutants

SK Sayyed, M Quraishi, R Jobby… - Archives of …, 2023 - Springer
AIDS (Acquired immunodeficiency syndrome) is one of the chronic and potentially life-
threatening epidemics across the world. Hitherto, the non-existence of definitive drugs that …

Molecular dynamics study of tropical calcific pancreatitis (TCP) associated calcium-sensing receptor single nucleotide variation

A Shrivastava, K Mathur, RK Verma… - Frontiers in Molecular …, 2022 - frontiersin.org
Tropical Calcific Pancreatitis (TCP) is a chronic non-alcoholic pancreatitis characterised by
extensive calcification. The disease usually appears at a younger age and is more common …

Laterosporulin25: A probiotically produced, novel defensin-like bacteriocin and its immunogenic properties

R Dinata, P Baindara - International Immunopharmacology, 2023 - Elsevier
Although multiple vaccines have been developed against infectious diseases, the rapid
emergence of new pathogens develops an urgent need for novel strategies to combat …

Molecular insights into the selective binding mechanism targeting parallel human telomeric G-quadruplex

Y Wang, G Li, T Meng, L Qi, H Yan, Z Wang - Journal of Molecular Graphics …, 2022 - Elsevier
Stabilizing human telomere DNA G-quadruplex (G4) proves a promising anti-cancer
strategy. Though plenty of G4 stabilizing molecules have been reported, little is known about …

Immunoinformatics design of a structural proteins driven multi-epitope candidate vaccine against different SARS-CoV-2 variants based on fynomer

J Sarvmeili, B Baghban Kohnehrouz, A Gholizadeh… - Scientific Reports, 2024 - nature.com
The ideal vaccines for combating diseases that may emerge in the future require more than
simply inactivating a few pathogenic strains. This study aims to provide a peptide-based …