Multilayer precision-based screening of potential inhibitors targeting Mycobacterium tuberculosis acetate kinase using in silico approaches
S Subramaniyan, H Nagarajan, U Vetrivel… - … Biology and Chemistry, 2023 - Elsevier
Tuberculosis (TB), caused by Mycobacterium tuberculosis (MTB), remains a major threat to
global health, with the emergence of multi-drug and extensively drug-resistant strains posing …
global health, with the emergence of multi-drug and extensively drug-resistant strains posing …
Application of temperature-dependent and steered molecular dynamics simulation to screen anti-dengue compounds against Marburg virus
AA Rabaan, ZH Almansour, A Al Bshabshe… - Journal of …, 2024 - Taylor & Francis
Marburg virus infections are extremely fatal with a fatality range of 23% to 90%, therefore
there is an urgent requirement to design and develop efficient therapeutic molecules. Here …
there is an urgent requirement to design and develop efficient therapeutic molecules. Here …
Exploring binding mechanisms of omicron spike protein with dolutegravir and etravirine by molecular dynamics simulation, principal component analysis, and free …
SA Elseginy - Journal of Biomolecular Structure and Dynamics, 2023 - Taylor & Francis
The COVID-19 pandemic was caused by the SARS-CoV-2 virus, frequent mutations
occurred to the wild-type virus resulting in evolved new variants. The WHO classified the …
occurred to the wild-type virus resulting in evolved new variants. The WHO classified the …
Crystal structures of coronaviral main proteases in complex with the non-covalent inhibitor X77
H Jiang, W Li, X Zhou, J Zhang, J Li - International Journal of Biological …, 2024 - Elsevier
Main proteases (M pro s) are a class of conserved cysteine hydrolases among
coronaviruses and play a crucial role in viral replication. Therefore, M pro s are ideal targets …
coronaviruses and play a crucial role in viral replication. Therefore, M pro s are ideal targets …
Exploration of human pancreatic alpha-amylase inhibitors from Physalis peruviana for the treatment of type 2 diabetes
VP Tiwari, A Dubey, M Al-Shehri… - Journal of Biomolecular …, 2024 - Taylor & Francis
Abstract Type 2 Diabetes (T2D), a chronic metabolic disorder characterized by persistent
hyperglycemia, accounts for∼ 90% of all types of diabetes. Pancreatic α-amylase is a …
hyperglycemia, accounts for∼ 90% of all types of diabetes. Pancreatic α-amylase is a …
Computational Insights into Papaveroline as an In Silico Drug Candidate for Alzheimer's Disease via Fyn Tyrosine Kinase Inhibition
SS Bhat, SR Kulkarni, A Uttarkar, V Niranjan - Molecular Biotechnology, 2024 - Springer
Alzheimer's disease (AD) poses a significant global health challenge, necessitating the
exploration of novel therapeutic strategies. Fyn Tyrosine Kinase has emerged as a key …
exploration of novel therapeutic strategies. Fyn Tyrosine Kinase has emerged as a key …
In Silico and In Vitro Screening of Some Pregnane Glycosides Isolated from Certain Caralluma Species as SARS‐COV‐2 Main Protease Inhibitors
E Abdel‐Sattar, O Kutkat, RA El‐Shiekh… - Chemistry & …, 2024 - Wiley Online Library
SARS‐CoV‐2 caused pandemic represented a major risk for the worldwide human health,
animal health and economy, forcing extraordinary efforts to discover drugs for its prevention …
animal health and economy, forcing extraordinary efforts to discover drugs for its prevention …
Investigating the mechanism of action of anti-dengue compounds as potential binders of zika virus RNA-dependent RNA polymerase
The World Health Organization (WHO) has designated the Zika virus (ZIKV) as a significant
risk to the general public's health. Currently, there are no vaccinations or medications …
risk to the general public's health. Currently, there are no vaccinations or medications …
[HTML][HTML] Artificial intelligence in anti-dengue drug development
M Roney - Intelligent Pharmacy, 2024 - Elsevier
Dengue fever is a mosquito-borne illness that affects millions of people worldwide. Artificial
intelligence (AI) is being employed in the battle against it. AI is being used to analyse …
intelligence (AI) is being employed in the battle against it. AI is being used to analyse …