In silico ADME and Toxicity Prediction of Ceftazidime and Its Impurities
Y Han, J Zhang, CQ Hu, X Zhang, B Ma… - Frontiers in …, 2019 - frontiersin.org
To improve the quality control of drugs, we predicted the absorption, distribution,
metabolism, excretion, and toxicity (ADMET) of ceftazidime (CAZ) and its impurities via in …
metabolism, excretion, and toxicity (ADMET) of ceftazidime (CAZ) and its impurities via in …
Molecular Docking, Validation, Dynamics Simulations, and Pharmacokinetic Prediction of Phytochemicals Isolated From Croton dichogamus Against the HIV-1 …
EM Terefe, A Ghosh - Bioinformatics and biology insights, 2022 - journals.sagepub.com
The human immunodeficiency virus (HIV) infection and the associated acquired immune
deficiency syndrome (AIDS) remain global challenges even after decades of successful …
deficiency syndrome (AIDS) remain global challenges even after decades of successful …
Molecular modeling and in vitro antiproliferative activity studies of some imidazole and isoxazole derivatives
MT Muhammed, ER Mustafa, S Akkoc - Journal of Molecular Structure, 2023 - Elsevier
Five compounds were synthesized and tested as in vitro against two different cancer cell
lines to find out their antiproliferative activities. The results showed that a compound …
lines to find out their antiproliferative activities. The results showed that a compound …
Exploration of copy number variation in genes related to anti-malarial drug resistance in Plasmodium falciparum
T Qidwai - Gene, 2020 - Elsevier
Abstract Development of drug resistance in P. falciparum is one of the major problems
associated with malaria treatment. Parasite genetic factors such as single nucleotide …
associated with malaria treatment. Parasite genetic factors such as single nucleotide …
Synthesis, Spectral Characterization, Thermal Investigation, Computational Studies, Molecular Docking, and In Vitro Biological Activities of a New Schiff Base Derived …
The current research involves the synthesis of a new Schiff base through the reaction
between 2-chlorobenzaldehyde and 3, 3′-dimethyl-[1, 1′-biphenyl]-4, 4′-diamine by …
between 2-chlorobenzaldehyde and 3, 3′-dimethyl-[1, 1′-biphenyl]-4, 4′-diamine by …
Computational insight into the mechanism of action of DNA gyrase inhibitors; revealing a new mechanism
MT Muhammed, E Aki-Yalcin - Current Computer-Aided Drug …, 2024 - ingentaconnect.com
Background: Discovery of novel antimicrobial agents is in need to deal with antibiotic
resistance. Elucidating the mechanism of action for established drugs contributes to this …
resistance. Elucidating the mechanism of action for established drugs contributes to this …
Novel hybrids of thiazolidinedione-1, 3, 4-oxadiazole derivatives: synthesis, molecular docking, MD simulations, ADMET study, in vitro, and in vivo anti-diabetic …
MG Srinivasa, JG Paithankar, SRS Birangal, A Pai… - RSC …, 2023 - pubs.rsc.org
As compared to standard medicinal compounds, hybrid molecules that contain multiple
biologically active functional groups have greater affinity and efficiency. Hence based on this …
biologically active functional groups have greater affinity and efficiency. Hence based on this …
Liver toxicity of macrolide antibiotics in zebrafish
M Zhang, B Chen, J Zhang, N Chen, C Liu, C Hu - Toxicology, 2020 - Elsevier
Macrolide antibiotics (macrolides) are among the most commonly prescribed antibiotics
worldwide and are used for a wide range of infections, but macrolides also expose people to …
worldwide and are used for a wide range of infections, but macrolides also expose people to …
Cytotoxic activities of the pyrimidine-based acetamide and isophthalimide derivatives: an in vitro and in silico studies
In here, a series of pyrimidin-(1 (2 H)-yl) acetamide and pyrimidin-(1 (2 H)-yl) isophthalimide
derivatives were synthesised according to literature. The cytotoxic activity properties of these …
derivatives were synthesised according to literature. The cytotoxic activity properties of these …
Synthesis, characterization, antiproliferative activity, docking, and molecular dynamics simulation of new 1,3-dihydro-2H-benzimidazol-2-one derivatives
Cancer is a global public health problem that affects millions each year. Novel anticancer
drug candidates are in need to treat various cancers and to overcome the resistance that …
drug candidates are in need to treat various cancers and to overcome the resistance that …