A review on computational studies and bioinformatics analysis of potential drugs against monkeypox virus
FMA Hossain, MNI Bappy, TB Robin… - Journal of …, 2024 - 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 …
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 …, 2024 - 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 …
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 …
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 …
[HTML][HTML] Aryl hydrocarbon receptor as an anticancer target: An overview of ten years odyssey
Aryl hydrocarbon receptor (AhR), a ligand-activated transcription factor belonging to the
basic helix–loop–helix (bHLH)/per-Arnt-sim (PAS) superfamily, is traditionally known to …
basic helix–loop–helix (bHLH)/per-Arnt-sim (PAS) superfamily, is traditionally known to …
Benzimidazole and piperidine containing novel 1, 2, 3‐triazole hybrids as anti‐infective agents: Design, synthesis, in silico and in vitro antimicrobial efficacy
JV Mendapara, MD Vaghasiya… - … of Biochemical and …, 2024 - Wiley Online Library
Cu alkyne‐azide cycloaddition was used to easily synthesize a library of novel heterocycles
containing benzimidazole and piperidine based 1, 2, 3‐triazole (7a–7l) derivatives. The …
containing benzimidazole and piperidine based 1, 2, 3‐triazole (7a–7l) derivatives. The …
Dalbergia sissoo phytochemicals as EGFR inhibitors: an in vitro and in silico approach
HN Naik, D Kanjariya, S Parveen, A Meena… - Journal of …, 2024 - 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 …
[HTML][HTML] A structural approach to investigate halogen substituted MAO-B inhibitors using QSAR modeling, molecular dynamics, and conceptual DFT analysis
Halogenated inhibitors showed robust, reversible, and selective monoamine oxidase-B
(MAO-B) inhibitory efficacy in candidates that were derived from them. Our team has …
(MAO-B) inhibitory efficacy in candidates that were derived from them. Our team has …
Design and synthesis of pyrrolo[2,3-d]pyrimidine linked hybrids as α-amylase inhibitors: molecular docking, MD simulation, ADMET and antidiabetic screening
Abstract Novel pyrrolo [2, 3-d] pyrimidine-based analogues were designed, synthesized,
and evaluated for their ability to inhibit the α-amylase enzyme in order to treat diabetes. In …
and evaluated for their ability to inhibit the α-amylase enzyme in order to treat diabetes. In …
New tetrahydroisoquinoline-4-carbonitrile derivatives as potent agents against cyclin-dependent kinases, crystal structures, and computational studies
Y El Bakri, S Karthikeyan, CH Lai… - Journal of …, 2024 - Taylor & Francis
The synthesis of two new hexahydroisoquinoline-4-carbonitrile derivatives (3a and 3b) is
reported along with spectroscopic data and their crystal structures. In compound 3a, the …
reported along with spectroscopic data and their crystal structures. In compound 3a, the …