Identification of potential hits against fungal lysine deacetylase Rpd3 via molecular docking, molecular dynamics simulation, DFT, in-silico ADMET and drug-likeness …
S Rathod, D Bhande, S Pawar, K Gumphalwad… - Chemistry Africa, 2024 - Springer
Fungal histone deacetylases (HDACs) are enzymes known for their crucial role in gene
expression regulation through histone deacetylation, leading to chromatin compaction and …
expression regulation through histone deacetylation, leading to chromatin compaction and …
[HTML][HTML] Repurposing of potential antiviral drugs against RNA-dependent RNA polymerase of SARS-CoV-2 by computational approach
S Gangadharan, JM Ambrose… - Journal of Infection and …, 2022 - Elsevier
The high incidences of COVID-19 cases are believed to be associated with high
transmissibility rates, which emphasizes the need for the discovery of evidence-based …
transmissibility rates, which emphasizes the need for the discovery of evidence-based …
Evaluating the Antiviral Potential of Phytocompounds from Mesua ferrea against SARS‐CoV‐2 Main Protease: Structure‐Based Virtual Screening and Molecular …
P Purohit, PS Sahoo, M Panda, K Kabasi… - …, 2023 - Wiley Online Library
SARS‐CoV‐2 is responsible for the novel coronavirus disease (COVID‐19) pandemic and
poses a significant ongoing global risk due to increasing infection rates. Mesua ferrea …
poses a significant ongoing global risk due to increasing infection rates. Mesua ferrea …
Evaluation of therapeutic potentials of selected phytochemicals against Nipah virus, a multi-dimensional in silico study
D Rababi, A Nag - 3 Biotech, 2023 - Springer
The current study attempted to evaluate the potential of fifty-three (53) natural compounds as
Nipah virus attachment glycoprotein (NiV G) inhibitors through in silico molecular docking …
Nipah virus attachment glycoprotein (NiV G) inhibitors through in silico molecular docking …
Quinoline-and Isoindoline-Integrated Polycyclic Compounds as Antioxidant, and Antidiabetic Agents Targeting the Dual Inhibition of α-Glycosidase and α-Amylase …
M Al-Ghorbani, O Alharbi, AB Al-Odayni, NAY Abduh - Pharmaceuticals, 2023 - mdpi.com
Novel analogs of quinoline and isoindoline containing various heterocycles, such as
tetrazole, triazole, pyrazole, and pyridine, were synthesized and characterized using FT-IR …
tetrazole, triazole, pyrazole, and pyridine, were synthesized and characterized using FT-IR …
Computational studies and antimicrobial activity of 1-(benzo [d] oxazol-2-yl)-3, 5-diphenylformazan derivatives
Background: Due to the biological importance of the benzoxazole derivatives, some 1-
(benzo [d] oxazol-2-yl)-3, 5-diphenyl-formazans 4a-f were synthesized and screened for in …
(benzo [d] oxazol-2-yl)-3, 5-diphenyl-formazans 4a-f were synthesized and screened for in …
Interaction of compounds derived from the Chinese medicinal formula Huangqi Guizhi Wuwu Tang with stroke-related numbness and weakness targets: An in-silico …
Abstract Huangqi Guizhi Wuwu Tang (HGWT) is a traditional Chinese herbal formula used
for managing post-stroke symptoms. Existing research have supported the use of this …
for managing post-stroke symptoms. Existing research have supported the use of this …
Withaniasomnifera phytochemicals possess SARS-CoV-2 RdRp and human TMPRSS2 protein binding potential
KS Prajapati, AK Singh, PP Kushwaha, M Shuaib… - Vegetos, 2023 - Springer
Abstract Coronavirus disease-19 (COVID-19) pandemic caused by severe acute respiratory
syndrome-coronavirus-2 (SARS-CoV-2) has infected approximately 26 million people and …
syndrome-coronavirus-2 (SARS-CoV-2) has infected approximately 26 million people and …
Exploring the targets of novel corona virus and docking-based screening of potential natural inhibitors to combat COVID-19
R Dey, A Samadder, S Nandi - Current Topics in Medicinal …, 2022 - ingentaconnect.com
There is a need to explore natural compounds against COVID-19 due to their multitargeted
actions against various targets of nCoV. They act on multiple sites rather than single targets …
actions against various targets of nCoV. They act on multiple sites rather than single targets …
Flavonoids as potential KRAS inhibitors: DFT, molecular docking, molecular dynamics simulation and ADMET analyses
KRAS mutations linked with cancer. Flavonoids were docked against KRAS G12C and
G12D receptors. Abyssinone III, alpha naphthoflavone, beta naphthoflavone, abyssinone I …
G12D receptors. Abyssinone III, alpha naphthoflavone, beta naphthoflavone, abyssinone I …