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<p><em>In vitro</em> anticancer activity of thiazole based β-amino carbonyl derivatives against HCT116 and H1299 colon cancer cell lines; study of pharmacokinetics, physicochemical, medicinal properties and molecular docking analysis</p><p> </p>

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Title Statement <p><em>In vitro</em> anticancer activity of thiazole based β-amino carbonyl derivatives against HCT116 and H1299 colon cancer cell lines; study of pharmacokinetics, physicochemical, medicinal properties and molecular docking analysis</p><p> </p>
 
Added Entry - Uncontrolled Name Ghatole, Ajay ; Dhote Bandhu Science College, Gondia
Hatzade, Kishor Manohar; Department of Chemistry, Dhote Bandhu Science College, Gondia 441 614, India
Gaidhane, Mahesh Krishanarao; Department of Chemistry, Shri Lemdeo Patil Mahavidyalaya, Mandal, Kuhi, India
Lanjewar, Kushal Radhesham; Department of Chemistry, Mohsin Bhai Zawer College, Wadsa, Desaigang, India
 
Uncontrolled Index Term Thiazole derivatives, HCT116, H1299, APOBEC3B (PDB ID- 5CQD), SwissADME, BOILED-Egg, bioavailability radar
 
Summary, etc. <p>The present study describes the synthesis and anticancer evaluation of certain substituted rac-(2S)-2-[(R)-[(4-substitutedphenyl){[4-(4-substitutedphenyl)-1,3-thiazol-2-yl]amino}methyl]cyclohexanone derivatives. The <em>in vitro</em> anti-cancer assay indicating substituted β-amino carbonyl derivatives <strong>4g</strong> and <strong>4r</strong> are particularly active in both tests (HCT116 and H1299). The <strong>4f, 4o</strong>, and <strong>4t</strong> are the least functioning; <strong>4m</strong> and <strong>4n</strong> are marginally active; <strong>4b</strong> and <strong>4c</strong> are more cytotoxic when the growth inhibition percent is compared with standard drugs Camptothecin (CPT.), Acyclovir (ACV), Cisplatin (CDDP.), Vinblastine (VBL) and Trichothecene (TCT.). Among them, 2-((4-<em>p</em>-tosylthiazol-2-ylamino)(4-hydroxyphenyl)methyl) cyclohexanone <strong>4u</strong> exhibits selective cytotoxicities for IC<sub>50</sub> µg/mL against HCT116 and H1299, respectively. Simulation of virtually designed 21 compounds has been studied for active binding sites of Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B (PDB ID- 5CQD) enzyme using molecular modelling of protein-ligand interactions. The in-depth sequencing studies reveal that the involvement of APOBEC3B in cancer mutagenesis. For comparison, the binding behaviour of known standard drugs has also studied. The new SwissADME web utensil that gives free access to a pool of quick yet reliable analytical models is presented for physicochemical properties, pharmacokinetics, drug-likeness, and medicinal chemistry. Among them, in-house capable technique, for example, BOILED-Egg, iLOGP, and Bioavailability Radar, are readily available on the web.</p><br />
 
Publication, Distribution, Etc. Indian Journal of Chemistry -Section B (IJC-B)
2021-02-15 15:57:41
 
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http://op.niscair.res.in/index.php/IJCB/article/view/30155
 
Data Source Entry Indian Journal of Chemistry -Section B (IJC-B); ##issue.vol## 60, ##issue.no## 2 (2021): Indian Journal of Chemistry Section - B (IJCB)
 
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