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ADMET profiling in drug discovery and development: perspectives of in silico, in vitro and integrated approaches
In the drug discovery setting, undesirable ADMET properties of a pharmacophore with good
predictive power obtained after a tedious drug discovery and development process may …
predictive power obtained after a tedious drug discovery and development process may …
[HTML][HTML] Progress report: Antimicrobial drug discovery in the resistance era
Antibiotic resistance continues to be a most serious threat to public health. This situation
demands that the scientific community increase their efforts for the discovery of alternative …
demands that the scientific community increase their efforts for the discovery of alternative …
Molecular and metabolic alterations of 2,3-dihydroquinazolin-4(1H)-one derivatives in prostate cancer cell lines
Prostate cancer (PC) is the second most common tumor in males worldwide. The lack of
effective medication and the development of multidrug resistance towards current …
effective medication and the development of multidrug resistance towards current …
[HTML][HTML] Mass spectrometry-based metabolomics approach and in vitro assays revealed promising role of 2, 3-dihydroquinazolin-4 (1H)-one derivatives against …
Colorectal cancer (CRC) is the most frequent form of gastrointestinal cancer and one of the
major causes of human mortality worldwide. Many of the current CRC therapies have …
major causes of human mortality worldwide. Many of the current CRC therapies have …
Structure–Activity Relationships Reveal Beneficial Selectivity Profiles of Inhibitors Targeting Acetylcholinesterase of Disease-Transmitting Mosquitoes
A Vidal-Albalat, T Kindahl, R Rajeshwari… - Journal of Medicinal …, 2023 - ACS Publications
Insecticide resistance jeopardizes the prevention of infectious diseases such as malaria and
dengue fever by vector control of disease-transmitting mosquitoes. Effective new insecticidal …
dengue fever by vector control of disease-transmitting mosquitoes. Effective new insecticidal …
Synthesis, characterization, and anti‐inflammatory properties of novel ethyl 3‐benzoyl‐7‐(trifluoromethyl) indolizine‐1‐carboxylate derivatives: In silico and in vitro …
HR Singh, P Kushwaha, R Tandon… - Chemical Biology & …, 2024 - Wiley Online Library
Abstract Series of 7‐(Trifluoromethyl) substituted indolizine 4a‐g was synthesized using the
one‐pot method. Spectroscopic techniques such as IR, 1H‐NMR, 13C‐NMR, and HRMS …
one‐pot method. Spectroscopic techniques such as IR, 1H‐NMR, 13C‐NMR, and HRMS …
[HTML][HTML] Crystallography, molecular modeling, and COX-2 inhibition studies on indolizine derivatives
The cyclooxygenase-2 (COX-2) enzyme is an important target for drug discovery and
development of novel anti-inflammatory agents. Selective COX-2 inhibitors have the …
development of novel anti-inflammatory agents. Selective COX-2 inhibitors have the …
Diversity oriented synthesis and SAR studies of new quinazolinones and related compounds as insecticidal agents against Culex pipiens L. Larvae and associated …
The ongoing study reports the synthesis, spectroscopic analyses and larvicidal efficacy of
novel series of quinazolinone derivatives and related compounds. The structures of the …
novel series of quinazolinone derivatives and related compounds. The structures of the …
The IMDAV approach towards thieno-and furoisoindolo [2, 1-a] quinazolines-11 (13)-carboxylic acids possessing antimicrobial and antiviral activities
Abstract Interaction of 2-furylvinyl-and 2-thienylvinyl-2, 3-dihydroquinazolin-4 (1H)-ones with
maleic anhydride gives isoindolo [2, 1-a] quinazoline-11 (13)-carboxylic acids via the …
maleic anhydride gives isoindolo [2, 1-a] quinazoline-11 (13)-carboxylic acids via the …
[HTML][HTML] Antitubercular, cytotoxicity, and computational target validation of dihydroquinazolinone derivatives
A series of 2, 3-dihydroquinazolin-4 (1 H)-one derivatives (3a–3m) was screened for in vitro
whole-cell antitubercular activity against the tubercular strain H37Rv and multidrug-resistant …
whole-cell antitubercular activity against the tubercular strain H37Rv and multidrug-resistant …