A practical guide to machine-learning scoring for structure-based virtual screening
Abstract Structure-based virtual screening (SBVS) via docking has been used to discover
active molecules for a range of therapeutic targets. Chemical and protein data sets that …
active molecules for a range of therapeutic targets. Chemical and protein data sets that …
Lipopolysaccharide lipid A: A promising molecule for new immunity-based therapies and antibiotics
P Garcia-Vello, F Di Lorenzo, D Zucchetta… - Pharmacology & …, 2022 - Elsevier
Lipopolysaccharides (LPS) are the main components of the external leaflet of the Gram-
negative outer membrane and consist of three different moieties: lipid A, core …
negative outer membrane and consist of three different moieties: lipid A, core …
Repurposing of FDA-approved drugs as potential inhibitors of the SARS-CoV-2 main protease: Molecular insights into improved therapeutic discovery
With numerous infections and fatalities, COVID-19 has wreaked havoc around the globe.
The main protease (Mpro), which cleaves the polyprotein to form non-structural proteins …
The main protease (Mpro), which cleaves the polyprotein to form non-structural proteins …
Designing AbhiSCoVac-A single potential vaccine for all 'corona culprits': Immunoinformatics and immune simulation approaches
The coronaviridae family has generated highly virulent viruses, including the ones
responsible for three major pandemics in last two decades with SARS in 2002, MERS …
responsible for three major pandemics in last two decades with SARS in 2002, MERS …
[HTML][HTML] Designing efficient multi-epitope peptide-based vaccine by targeting the antioxidant thioredoxin of bancroftian filarial parasite
Thioredoxin is a low molecular weight redox-active protein of filarial parasite that plays a
crucial role in downregulating the host immune response to prolong the survival of the …
crucial role in downregulating the host immune response to prolong the survival of the …
ACE-2-derived biomimetic peptides for the inhibition of spike protein of SARS-CoV-2
SARS-CoV-2, a novel coronavirus causing overwhelming death and infection worldwide,
has emerged as a pandemic. Compared to its predecessor SARS-CoV, SARS-CoV-2 is …
has emerged as a pandemic. Compared to its predecessor SARS-CoV, SARS-CoV-2 is …
Reverse vaccinology assisted design of a novel multi-epitope vaccine to target Wuchereria bancrofti cystatin: An immunoinformatics approach
Proteases are the critical mediators of immunomodulation exerted by the filarial parasites to
bypass and divert host immunity. Cystatin is a small (∼ 15 kDa) immunomodulatory filarial …
bypass and divert host immunity. Cystatin is a small (∼ 15 kDa) immunomodulatory filarial …
Molecular modeling, simulation and docking of Rv1250 protein from Mycobacterium tuberculosis
S Choudhary, AK Kesavan, V Juneja… - Frontiers in …, 2023 - frontiersin.org
Computational prediction and protein structure modeling have come to the aid of various
biological problems in determining the structure of proteins. These technologies have …
biological problems in determining the structure of proteins. These technologies have …
The Legionella pneumophila metaeffector Lpg2505 (MesI) regulates SidI-mediated translation inhibition and novel glycosyl hydrolase activity
AM Joseph, AE Pohl, TJ Ball, TG Abram… - Infection and …, 2020 - Am Soc Microbiol
Legionella pneumophila, the etiological agent of Legionnaires' disease, employs an arsenal
of hundreds of Dot/Icm-translocated effector proteins to facilitate replication within eukaryotic …
of hundreds of Dot/Icm-translocated effector proteins to facilitate replication within eukaryotic …
The current landscape of microRNAs (miRNAs) in bacterial pneumonia: opportunities and challenges
F Zhang, Y Zhou, J Ding - Cellular & molecular biology letters, 2022 - Springer
MicroRNAs (miRNAs), which were initially discovered in Caenorhabditis elegans, can
regulate gene expression by recognizing cognate sequences and interfering with the …
regulate gene expression by recognizing cognate sequences and interfering with the …