In silico DFT study, molecular docking, and ADMET predictions of cytidine analogs with antimicrobial and anticancer properties
Nucleoside analogs contribute in pharmaceutical and clinical fields as medicinal agents and
approved drugs. This work focused to investigate the antimicrobial, anticancer activities, and …
approved drugs. This work focused to investigate the antimicrobial, anticancer activities, and …
In silico and POM analysis for potential antimicrobial agents of thymidine analogs by using molecular docking, molecular dynamics and ADMET profiling
Nucleoside analogs are an important, well-established class of clinically useful medicinal
agents that exhibit potent antimicrobial activity. Thus, we designed to explore the synthesis …
agents that exhibit potent antimicrobial activity. Thus, we designed to explore the synthesis …
[PDF][PDF] Uridine derivatives: Antifungal, PASS outcomes, ADME/T, drug-likeliness, molecular docking and binding energy calculations
T Shamsuddin, MA Hosen, MS Alam… - Med. Sci. Int …, 2021 - researchgate.net
Several nucleoside derivatives are used as antifungal, antiviral, antibacterial, and anticancer
agents and have shown effective results against fungal, bacteria, viruses, and cancer. In this …
agents and have shown effective results against fungal, bacteria, viruses, and cancer. In this …
Synthesis, in silico prediction and in vitro evaluation of antimicrobial activity, dft calculation and theoretical investigation of novel xanthines and uracil containing …
S El-Kalyoubi, F Agili, WA Zordok… - International Journal of …, 2021 - mdpi.com
Novel xanthine and imidazolone derivatives were synthesized based on oxazolone
derivatives 2a-c as a key intermediate. The corresponding xanthine 3-5 and imidazolone …
derivatives 2a-c as a key intermediate. The corresponding xanthine 3-5 and imidazolone …
Synthesis, identification, computer-aided docking studies, and ADMET prediction of novel benzimidazo-1, 2, 3-triazole based molecules as potential antimicrobial …
2-azido-1 H-benzo [d] imidazole derivatives 1a, b were reacted with a β-ketoester such as
acetylacetone in the presence of sodium ethoxide to obtain the desired molecules 2a, b. The …
acetylacetone in the presence of sodium ethoxide to obtain the desired molecules 2a, b. The …
[PDF][PDF] Geometrical optimization, PASS prediction, molecular docking, and in silico ADMET studies of thymidine derivatives against FimH adhesin of Escherichia coli
Thymidine-containing derivatives are some of the most exigent analogs of drug molecules.
In this investigation, several 5ʹ-O-acyl thymidine derivatives (2–11) having different …
In this investigation, several 5ʹ-O-acyl thymidine derivatives (2–11) having different …
Synthesis, molecular docking, and in silico ADME prediction of some fused pyrazolo[1,5-a]pyrimidine and pyrazole derivatives as potential antimicrobial agents
Abstract Twenty compounds of pyrazolo [1, 5-a] pyrimidines 14a–j and pyrazole derivatives
as Schiff bases 16a–j have been synthesized by the reaction of 5-amino-pyrazole …
as Schiff bases 16a–j have been synthesized by the reaction of 5-amino-pyrazole …
Design, synthesis, anticancer, antimicrobial activities and molecular docking studies of theophylline containing acetylenes and theophylline containing 1, 2, 3-triazoles …
RR Ruddarraju, AC Murugulla, R Kotla… - European journal of …, 2016 - Elsevier
A new series of theophylline containing acetylene derivatives (6a–6b and 7–13) and
theophylline containing 1, 2, 3-triazoles with variant nucleoside derivatives (20–32) have …
theophylline containing 1, 2, 3-triazoles with variant nucleoside derivatives (20–32) have …
Docking, ADMET prediction, DFT analysis, synthesis, cytotoxicity, antibacterial screening and QSAR analysis of diarylpyrimidine derivatives
VK Singh, H Chaurasia, R Mishra, R Srivastava… - Journal of Molecular …, 2022 - Elsevier
A new series of 2, 4 disubstituted diarylpyrimidine derivatives has been designed,
synthesized and screened for their antibacterial activity. QSAR studies followed by …
synthesized and screened for their antibacterial activity. QSAR studies followed by …
DFT study, physicochemical, molecular docking, and ADMET predictions of some modified uridine derivatives
Uridine derivatives are important scaffolds of many organic substances, and are now
drawing more and more interests to chemist and biochemist for the synthesis of new drugs …
drawing more and more interests to chemist and biochemist for the synthesis of new drugs …
相关搜索
- cytidine analogs admet predictions
- molecular docking admet predictions
- cytidine analogs molecular docking
- antimicrobial activity silico prediction
- dft calculation silico prediction
- molecular docking drug likeliness
- fused pyrazolo adme prediction
- admet profiling thymidine analogs
- dft analysis antimicrobial activity
- diarylpyrimidine derivatives admet prediction
- antibacterial screening admet prediction
- imidazolone derivatives silico prediction
- molecular docking pass outcomes
- molecular docking fused pyrazolo
- molecular docking uridine derivatives
- molecular docking energy calculations