Current Issue : January - March Volume : 2021 Issue Number : 1 Articles : 5 Articles
Meanwhile the outbreak of the Covid-19 since December, 2019 in China, it\nhas killed more than a hundred thousand of people of all ages and sex across\nthe globe in a short span of time. On the bases of this study the nearest family\nmember of the virus and its receptor binding domain of S protein including\nits model structure and function of its active sites were naked through Multiple\nSequence Alignment, modelling and molecular docking software accordingly\nits repository genome databases. The virus was genetically associated and molecular\nevolutionary related with (RaTG13) and it scores 96.12% homology\nwith 99% query coverage followed by bat-SL-CoVZC45 and bat-SL-CoVZXC21\nnotch 89.12% and 88.65% respectively. However, SARS and MERS corona\ntype virus those outbreak earlier respectively less likely family members of\n2019-nCoV. Though the virus has a close genetic association with those previous\nSARS coronaviruses, and certainly the spike protein used as a binding\nreceptor to fight against human receptor protein of ACE 2, but on the basis of\nFRODOC and HDOCK server analysis multi favorable active sites of S protein\nwas discovered such GLN493 shown as a finest key in both model and\npossessed a unique traits on it resulting unexpected rate of transmission and\nnumber of people died while compared to the previous one. TYR500, ASN501,\nGLN498 and others residues preferably contemplate site also. In particular,\nthe diversity of the virus in the world may be due to the genome structure of\nthe virus and S gene changed over the time, across the world against to host\nof human genetic diversity, which may be more robust, and may be a new\nand unique feature. This is because it is characterized close to contact..........................
Bridged polymacrocyclic ligands featured by structurally different cages offer the possibility\nof coordinating multiple trivalent lanthanide ions, giving rise to the exploitation of their different\nphysicochemical properties, e.g., multimodal detection for molecular imaging purposes. Intrigued by\nthe complementary properties of optical and MR-based image capturing modalities, we report\nthe synthesis and characterization of the polymetallic Ln(III)-based chelate comprised of two\nDOTA-amide-based ligands (DOTA--1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid) bridged\nvia 1,10-diaza-18-crown-6 (DA18C6) motif. The DOTA-amide moieties and the DA18C6 were used to\nchelate two Eu(III) ions and one.........................
Halogenated carboxylic acids have been important compounds in chemical synthesis\nand indispensable research tools in biochemical studies for decades. Nevertheless, the number of\nstructurally characterized simple....................................
A derivative series of 3,4-dimethoxy......................
Ethanoanthracene cycloadducts (5â??7) anti, (5â??7) syn, and (5â??7) dec have been synthesized\nfrom the Dielsâ??Alder (DA) reaction of diene 1,8-dichloroanthracene 2, with the dienophiles;\nacrylonitrile 3, 1-cynavinyl acetate 4, and phenyl vinyl sulfone 5, individually. The steric effect of\ndienophile substituents were more favorable toward the anti-isomer formation as deduced from\n1H-NMR spectrum. The cheminformatics prediction for (5â??7) anti and (5â??7) syn was investigated.\nThe in silico anticipated anti-depression activity of the (5â??7) anti and (5â??7) syn compounds were\ninvestigated and compared to maprotiline 9 as reference anti-depressant drug. The study showed that\nsteric interactions play a crucial role in the binding affinity of these compounds to the representative\nmodels; 4xnx, 2QJU, and 3GWU. The pharmacokinetic and drug-like properties of (5â??7) anti and\n(5â??7) syn exhibited that these compounds could be represented as potential candidates for further\ndevelopment into antidepressant-like agents....
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