A review on computational studies and bioinformatics analysis of potential drugs against monkeypox virus
FMA Hossain, MNI Bappy, TB Robin… - Journal of …, 2023 - Taylor & Francis
Monkeypox, a viral disease that is caused by monkeypox virus and occurs mainly in central
and western Africa. However, recently it is spreading worldwide and took the focus of the …
and western Africa. However, recently it is spreading worldwide and took the focus of the …
Quercetin: A Potential Polydynamic Drug
N Georgiou, MG Kakava, EA Routsi, E Petsas… - Molecules, 2023 - mdpi.com
The study of natural products as potential drug leads has gained tremendous research
interest. Quercetin is one of those natural products. It belongs to the family of flavonoids and …
interest. Quercetin is one of those natural products. It belongs to the family of flavonoids and …
Profiling the structural determinants of pyrrolidine derivative as gelatinases (MMP-2 and MMP-9) inhibitors using in silico approaches
Quantitative structure activity relationship (QSAR) studies on pyrrolidine derivatives have
been established using CoMFA, CoMSIA, and Hologram QSAR analysis to estimate the …
been established using CoMFA, CoMSIA, and Hologram QSAR analysis to estimate the …
Insights into in-vitro studies and molecular modelling of the antimicrobial efficiency of 4-chlorobenzaldehyde and 4-methoxybenzaldehyde derivatives
MAF Mohamed, I Benjamin, GA Okon… - Journal of …, 2023 - Taylor & Francis
Owing to the significant gap in the knowledge and understanding of the mechanisms of
antimicrobial action and the development of resistance, the optimization of antimicrobial …
antimicrobial action and the development of resistance, the optimization of antimicrobial …
GC/MS Profiling, Antibacterial, Anti-Quorum Sensing, and Antibiofilm Properties of Anethum graveolens L. Essential Oil: Molecular Docking Study and In-Silico ADME …
Anethum graveolens L. has been known as an aromatic, medicinal, and culinary herb since
ancient times. The main purpose of this study was to determine the chemical composition …
ancient times. The main purpose of this study was to determine the chemical composition …
Design and synthesis of novel 1, 2, 3-triazole linked hybrids: Molecular docking, MD simulation, and their antidiabetic efficacy as α-Amylase inhibitors
Abstract Novel 1, 2, 3-triazole linked coumarin and cinnamic acid analogs were designed,
synthesized, characterized, and evaluated for their ability to inhibit the α-amylase enzyme in …
synthesized, characterized, and evaluated for their ability to inhibit the α-amylase enzyme in …
Identification of potential edible spices as EGFR and EGFR mutant T790M/L858R inhibitors by structure-based virtual screening and molecular dynamics
I Ahmad Ansari, B Debnath, S Kar… - Journal of …, 2024 - Taylor & Francis
Epidermal growth factor receptor (EGFR) tyrosine kinases are overexpressed in several
human cancers and could serve as a promising anti-cancer drug target. With this in view, the …
human cancers and could serve as a promising anti-cancer drug target. With this in view, the …
Dalbergia sissoo phytochemicals as EGFR inhibitors: an in vitro and in silico approach
HN Naik, D Kanjariya, S Parveen, A Meena… - Journal of …, 2023 - Taylor & Francis
The safest and most effective sources of medications are natural and traditional medicines
derived from plants and herbs. In Western India, various parts of the Dalbergia sissoo plant …
derived from plants and herbs. In Western India, various parts of the Dalbergia sissoo plant …
Investigation of new 1,2,3-triazolyl-quinolinyl-propan-2-ol derivatives as potential antimicrobial agents: in vitro and in silico approach
AD Shinde, YM Nandurkar, S Bhalekar… - Journal of …, 2024 - Taylor & Francis
Abstract A new series of 1-((1-(4-substituted benzyl)-1 H-1, 2, 3-triazol-4-yl) methoxy)-2-(2-
substituted quinolin-4-yl) propan-2-ol (9a-x) have been synthesized. The newly synthesized …
substituted quinolin-4-yl) propan-2-ol (9a-x) have been synthesized. The newly synthesized …
Insight into crystal structures and identification of potential styrylthieno[2,3-b]pyridine-2-carboxamidederivatives against COVID-19 Mpro through structure-guided …
Y El Bakri, B Ahmad, K Saravanan… - Journal of …, 2024 - Taylor & Francis
Abstract Anti-SARS-CoV-2 drugs are urgently needed to prevent the pandemic and for
immunization. Their protease inhibitor treatment for COVID-19 has been used in clinical …
immunization. Their protease inhibitor treatment for COVID-19 has been used in clinical …