ADMET profiling in drug discovery and development: perspectives of in silico, in vitro and integrated approaches

NEH Daoud, P Borah, PK Deb… - Current Drug …, 2021 - benthamdirect.com
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 …

[HTML][HTML] Progress report: Antimicrobial drug discovery in the resistance era

P Shinu, AKA Mouslem, AB Nair, KN Venugopala… - Pharmaceuticals, 2022 - mdpi.com
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 …

Molecular and metabolic alterations of 2,3-dihydroquinazolin-4(1H)-one derivatives in prostate cancer cell lines

LA Dahabiyeh, W Hourani, W Darwish, F Hudaib… - Scientific Reports, 2022 - nature.com
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 …

[HTML][HTML] Mass spectrometry-based metabolomics approach and in vitro assays revealed promising role of 2, 3-dihydroquinazolin-4 (1H)-one derivatives against …

LA Dahabiyeh, F Hudaib, W Hourani, W Darwish… - European Journal of …, 2023 - Elsevier
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 …

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 …

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 …

[HTML][HTML] Crystallography, molecular modeling, and COX-2 inhibition studies on indolizine derivatives

KN Venugopala, S Chandrashekharappa, C Tratrat… - Molecules, 2021 - mdpi.com
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 …

Diversity oriented synthesis and SAR studies of new quinazolinones and related compounds as insecticidal agents against Culex pipiens L. Larvae and associated …

MH Hekal, YM Ali, DR Abdel-Haleem… - Bioorganic Chemistry, 2023 - Elsevier
The ongoing study reports the synthesis, spectroscopic analyses and larvicidal efficacy of
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

VP Zaytsev, LV Lovtsevich, KM Pokazeev, EA Sorokina… - Tetrahedron, 2023 - Elsevier
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 …

[HTML][HTML] Antitubercular, cytotoxicity, and computational target validation of dihydroquinazolinone derivatives

KN Venugopala, NA Al-Shar'i, LA Dahabiyeh… - Antibiotics, 2022 - mdpi.com
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 …