Polycyclic aromatic hydrocarbons (PAHs): updated aspects of their determination, kinetics in the human body, and toxicity
Polycyclic aromatic hydrocarbons (PAHs) are legacy pollutants of considerable public health
concern. Polycyclic aromatic hydrocarbons arise from natural and anthropogenic sources …
concern. Polycyclic aromatic hydrocarbons arise from natural and anthropogenic sources …
Target‐based virtual screening, computational multiscoring docking and molecular dynamics simulation of small molecules as promising drug candidate affecting …
The kinesin family member C1 (KIFC1) is an essential protein that facilitates the bipolar
division of neoplastic cells. Inhibiting KIFC1 by small molecules is a lucrative strategy to …
division of neoplastic cells. Inhibiting KIFC1 by small molecules is a lucrative strategy to …
Revealing the mechanism of EGCG, Genistein, Rutin, Quercetin, and Silibinin against hIAPP aggregation via computational simulations
Y Wang, Y Lv, L Jin, G Liang - Interdisciplinary Sciences: Computational …, 2020 - Springer
To inhibit hIAPP aggregation and reduce toxicity of its oligomers are one of the potential
strategies for the treatment of Type 2 diabetes (T2D). It has been reported that there is an …
strategies for the treatment of Type 2 diabetes (T2D). It has been reported that there is an …
[PDF][PDF] Lead identification against 3C-like protease of SARS-CoV-2 via target-based virtual screening and molecular dynamics simulation
AS Alwabli - Journal of Young Pharmacists, 2022 - jyoungpharm.org
Background: The COVID-19 pandemic has prompted the human population's emotional,
social, and financial loss worldwide and presents an unprecedented challenge to health …
social, and financial loss worldwide and presents an unprecedented challenge to health …
Development of in silico protocols to predict structural insights into the metabolic activation pathways of xenobiotics
To establish in silico model to predict the structural insight into the metabolic bioactivation
pathway of xenobiotics, we considered two specific and one non-specific mammary …
pathway of xenobiotics, we considered two specific and one non-specific mammary …
[PDF][PDF] Combinatorial design to decipher novel lead molecule against Mycobacterium tuberculosis
Aspartate-semialdehyde dehydrogenase (ASADH) of DAP/lysine pathway plays a crucial
role in sustainable growth and pathogenicity of Mycobacterium tuberculosis (Mtb) via …
role in sustainable growth and pathogenicity of Mycobacterium tuberculosis (Mtb) via …
Identifying the alpha-glucosidase inhibitory potential of dietary phytochemicals against diabetes mellitus type 2 via molecular interactions and dynamics simulation
Identifying the alpha-glucosidase inhibitory potential of dietary phytochemicals against
diabetes mellitus type 2 via molecular Page 1 * Corresponding author. Email: adnankausar1@gmail.com …
diabetes mellitus type 2 via molecular Page 1 * Corresponding author. Email: adnankausar1@gmail.com …
[PDF][PDF] Piperaquine-and aspirin-mediated protective role of hsp70 and hsp90 as modes to strengthen the natural immunity against potent SARS-CoV-2
FS Alreshidi, IA Ginawi… - … Res. Appl. Chem, 2021 - biointerfaceresearch.com
Since the emergence of COVID-19, the clinical manifestations are continually challenging
the clinicians and scientists for the rapid development of a preventive solution of SARS-CoV …
the clinicians and scientists for the rapid development of a preventive solution of SARS-CoV …
Computational insights into inhibiting EphA2: Integrating structure-based virtual screening, docking, and molecular dynamics simulations for small molecule discovery
Elevated expression and dysfunction of ephrin type A receptor-2 (EphA2) have been
implicated in the initiation and progression of cancer, metastasis, and unfavorable clinical …
implicated in the initiation and progression of cancer, metastasis, and unfavorable clinical …
[PDF][PDF] Structural perspective on molecular interaction of IgG and IgA with spike and envelope proteins of SARS-CoV-2 and its implications to non-specific immunity
MKA Khan, NB Pokharkar, FM Al-Khodairy… - Biointerface Res Appl …, 2020 - academia.edu
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), a ruthless killer of the
human population and highly transmissible, has become a big threat to public health by …
human population and highly transmissible, has become a big threat to public health by …