A Chronicle Review of In-Silico Approaches for Discovering Novel Antimicrobial Agents to Combat Antimicrobial Resistance

NP Dalbanjan, SK Praveen Kumar - Indian Journal of Microbiology, 2024 - Springer
Antimicrobial resistance (AMR) poses a foremost threat to global health, necessitating
innovative strategies for discovering antimicrobial agents. This review explores the role and …

Investigate the binding of pesticides with the TLR4 receptor protein found in mammals and zebrafish using molecular docking and molecular dynamics simulations

S Yadav, M Aslam, A Prajapat, I Massey, B Nand… - Scientific Reports, 2024 - nature.com
The widespread use of pesticides poses significant threats to both environmental and
human health, primarily due to their potential toxic effects. The study investigated the …

Potential Inhibitors of Lumpy Skin Disease's Viral Protein (DNA Polymerase): A Combination of Bioinformatics Approaches

S Zia, MM Sumon, MA Ashik, A Basar, S Lim, Y Oh… - Animals, 2024 - mdpi.com
Simple Summary Lumpy skin disease (LSD) presents a formidable challenge to livestock
production worldwide, spreading rapidly among ruminant animals and causing significant …

Structural interaction relationship of six edible flavonoids with CYP3A4 based on spectroscopic and computer simulation

Y Du, M Wang, Y Li, J Cui, D Lian, X Zhang… - Journal of Molecular …, 2024 - Elsevier
Abstract Quercetin, hyperoside, isoquercitrin, quercetin-7-O-glucoside, rutin and quercetin-3-
O-sophoroside are six flavonoids with quercetin as the parent nucleus. CYP3A4 is an …

Structure-based drug designing for potential antiviral activity of selected natural product against Monkeypox (Mpox) virus and its host targets

VK Maurya, S Kumar, S Maurya, S Ansari, JT Paweska… - VirusDisease, 2024 - Springer
Abstract Monkeypox virus (MPV/MPXV/hMPXV) is a zoonotic infection that is a causative
agent of monkeypox disease, which is mainly endemic in West and Central Africa regions …

MONKEY POX (M-Pox/MPXV): Epidemiology, transmission, clinical findings, treatment and herbal treatment

M Sevindik, M Yazar, AO Polat, HK Karatepe… - Indian Journal of …, 2024 - or.niscpr.res.in
There is a serious increase in the number of viral diseases today. Monkeypox virus (M-
Pox/MPXV) is defined as a viral infection caused by a virus called Orthopoxvirus in the …

[HTML][HTML] In silico targeting of pox virus proteins to repurpose triterpenes against monkeypox infection

P Rajak, A Ganguly, S Dey, K Sen - Computational and Structural …, 2024 - Elsevier
The multi-county outbreak of monkeypox caused by the monkeypox virus (MPXV) has raised
serious health concerns around the globe. WHO has declared it a public health emergency …

Identification of Antiviral Drug Candidates Against Monkeypox DNA Polymerase and Profilin-like Protein A42R Utilizing an In-Silico Approach

M Amjid, MM Khan, SF Pastore, JB Vincent… - bioRxiv, 2024 - biorxiv.org
Monkeypox virus (MPXV) is emerging as a major concern in the field of infectious diseases.
Current treatments are limited, highlighting the need for new therapeutic options. The use of …