Abdelazize Laoui's research while affiliated with California Institute of Technology and other places

... Multivariate design [21] known as Statistical Molecular Design (SMD) can be used [22] for this purpose. Non-statistical techniques [23], Factorial Design (FD) [24], Fractional Factorial Design (FFD) [25], Central Composite Design (CCD), D-Optimal Design (DOD) [26,27] Principal Component Analysis (PCA) [28] and Cluster Analysis (CA) [29] are among several procedures of selection that have been suggested. ...

... In addition, these alkaloids display a telomerase inhibitory property. As telomerase is overexpressed in most tumor cell lines, 165 telomerase inhibition signies a unique favorable approach for the establishment of cancer chemotherapy. 166 Jia and coworkers in 2014 revealed 167 a complete elucidation for the short total synthesis of dictyodendrins E. The total synthesis of dictyodendrins E (105) started from the Ullmann coupling reaction of p-iodoanisole (97) and 1,3-dinitrobenzene (98), and afforded biphenyl 99, aer a further three steps the iodide 100 was obtained. ...

... A crucial step in understanding specificity and promiscuity in molecular recognition and structure-based design is to identify the residues that are important for ligand binding. Researchers have successfully applied homology-based of non-rhodopsin GPCRs structure modeling approaches to ligand-binding elucidation [41,45,46]. Interestingly, the bigger amount of works based on homology modeling (we found 88 articles by last five years) is dedicated to the rhodopsin-like GPCRs (class A), [47][48][49] and Taste2 (T2R) GPCRs [43,[50][51][52][53]. Several approaches to modeling GPCRs have been described [41], including ab [41], including ab initio [42,54] and template based [40,49,55]. ...

... EB is known to intercalate with the dsDNA and stack with the G4 DNA. 63,64 So, the fluorescence intensity of EB is strongly enhanced upon binding with the G4 DNA, as EB is embedded and stacked in the hydrophobic environment. 63 Upon addition of the xanthone-based derivatives XPN h 2 and XPN h Me2 to the pre-formed EB−quadruplex complex, the fluorescence intensity of EB decreased noticeably. ...

... In 1990-s, the advent of high-throughput x-ray and NMR technologies enabled structure-guided fragment-based discovery that explicitly exploited the concept of fragments "liking" specific protein environments [62][63][64][65] . In 2000-s, a broad family of approaches collectively termed chemogenomics or proteochemometrics experimented with various ways of using the protein sequence or structure to share SAR information between targets [66][67][68][69][70] . Finally, during the last decade, deep machine learning has shown potential to combine protein and ligand data for a fast prediction of protein-ligand binding affinity [71][72][73][74] . ...

... It was identified as the lead compound in quantitative structure-activity relationship (QSAR) efforts [98][99][100]. Further, it was reported that the phenoxyacetic acid moiety is a very critical substructure for its biological activity [101,102]. Compound 58 with a (pyridin-2-ylamino)acetic acid substructure substituted at the 6position of the pyridyl group showed higher h-EP2 receptor agonist activity than compound 59. Omidenepag (58) containing a pyrazol-1-yl group displayed the most potent h-EP2 receptor agonist activity compared to compound 59 [103][104][105][106][107][108][109]. ...