Immunoinformatics-aided design of a peptide based multiepitope vaccine targeting glycoproteins and membrane proteins against monkeypox virus

N Akhtar, V Kaushik, RK Grewal, AK Wani… - Viruses, 2022 - mdpi.com
Monkeypox is a self-limiting zoonotic viral disease and causes smallpox-like symptoms. The
disease has a case fatality ratio of 3–6% and, recently, a multi-country outbreak of the …

Immunoinformatics-Aided Design and In Vivo Validation of a Peptide-Based Multiepitope Vaccine Targeting Canine Circovirus

V Kaushik, P Jain, N Akhtar, A Joshi… - ACS Pharmacology & …, 2022 - ACS Publications
Canine circovirus (CanineCV) is a deadly pathogen affecting both domestic and wild
carnivores including dogs. No vaccine against CanineCV is available commercially or under …

Human LC3 and GABARAP subfamily members achieve functional specificity via specific structural modulations

N Jatana, DB Ascher, DEV Pires, RS Gokhale… - Autophagy, 2020 - Taylor & Francis
Autophagy is a conserved adaptive cellular pathway essential to maintain a variety of
physiological functions. Core components of this machinery are the six human Atg8 …

Barrier-to-autointegration factor 1 (Banf1) regulates poly [ADP-ribose] polymerase 1 (PARP1) activity following oxidative DNA damage

E Bolderson, JT Burgess, J Li, NS Gandhi… - Nature …, 2019 - nature.com
The DNA repair capacity of human cells declines with age, in a process that is not clearly
understood. Mutation of the nuclear envelope protein barrier-to-autointegration factor 1 …

T cell epitope based vaccine design while targeting outer capsid proteins of rotavirus strains infecting neonates: an immunoinformatics approach

AD Sharma, RK Grewal, S Gorle… - Journal of …, 2024 - Taylor & Francis
Gastrointestinal diarrhea is majorly caused by the rotavirus (RV) in the children who
generally are under the age group of 5 years. WHO estimates that∼ 95% of the children …

D936Y and other mutations in the fusion core of the SARS-CoV-2 spike protein heptad repeat 1: frequency, geographical distribution, and structural effect

R Oliva, AR Shaikh, A Petta, A Vangone, L Cavallo - Molecules, 2021 - mdpi.com
The crown of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is
constituted by its spike (S) glycoprotein. S protein mediates the SARS-CoV-2 entry into the …

Analysis and ranking of protein-protein docking models using inter-residue contacts and inter-molecular contact maps

R Oliva, E Chermak, L Cavallo - Molecules, 2015 - mdpi.com
In view of the increasing interest both in inhibitors of protein-protein interactions and in
protein drugs themselves, analysis of the three-dimensional structure of protein-protein …

Distinguishing crystallographic from biological interfaces in protein complexes: role of intermolecular contacts and energetics for classification

K Elez, AMJJ Bonvin, A Vangone - BMC bioinformatics, 2018 - Springer
Background Study of macromolecular assemblies is fundamental to understand functions in
cells. X-ray crystallography is the most common technique to solve their 3D structure at …

Biochemical stability and molecular dynamic characterization of Aspergillus fumigatus cystathionine γ-lyase in response to various reaction effectors

ASA El-Sayed, S Abdel-Azeim, HM Ibrahim… - Enzyme and Microbial …, 2015 - Elsevier
Cystathionine γ-lyase (CGL) is a key enzyme in the methionine–cysteine cycle in all living
organisms forming cysteine, α-ketobutyrate and ammonia via homocysteine and …

SINAPs: a software tool for analysis and visualization of interaction networks of molecular dynamics simulations

C Bedart, N Renault, P Chavatte… - Journal of chemical …, 2022 - ACS Publications
As long as the structural study of molecular mechanisms requires multiple molecular
dynamics reflecting contrasted bioactive states, the subsequent analysis of molecular …