2020): Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2′-O-ribose methyltransferase, Journal of Biomolecular Structure and Dynamics, ABSTRACTThe recent pandemic associated with SARS-CoV-2, a virus of the Coronaviridae family, has resulted in an unprecedented number of infected people. The highly contagious nature of this virus makes it imperative for us to identify promising inhibitors from pre-existing antiviral drugs. Two druggable targets, namely 3C-like proteinase (3CLpro) and 2 0 -O-ribose methyltransferase (2 0 -O-MTase) were selected in this study due to their indispensable nature in the viral life cycle. 3CLpro is a cysteine protease responsible for the proteolysis of replicase polyproteins resulting in the formation of various functional proteins, whereas 2 0 -O-MTase methylates the ribose 2 0 -O position of the first and second nucleotide of viral mRNA, which sequesters it from the host immune system. The selected drug target proteins were screened against an in-house library of 123 antiviral drugs. Two promising drug molecules were identified for each protein based on their estimated free energy of binding (DG), the orientation of drug molecules in the active site and the interacting residues. The selected protein-drug complexes were then subjected to MD simulation, which consists of various structural parameters to equivalently reflect their physiological state. From the virtual screening results, two drug molecules were selected for each drug target protein [Paritaprevir (DG ¼ À9.8 kcal/mol) & Raltegravir (DG ¼ À7.8 kcal/mol) for 3CLpro and Dolutegravir (DG ¼ À9.4 kcal/mol) and Bictegravir (DG ¼ À8.4 kcal/mol) for 2 0 -OMTase]. After the extensive computational analysis, we proposed that Raltegravir, Paritaprevir, Bictegravir and Dolutegravir are excellent lead candidates for these crucial proteins and they could become potential therapeutic drugs against SARS-CoV-2.Abbreviations: 3CLpro: 3C-like proteinase; 2 0 -O-MTase: 2 0 -O-ribose methyltransferase; SARS-CoV-2: ARTICLE HISTORY

Designing highly conducting metal–organic frameworks (MOFs) is currently a subject of great interest for their potential applications in diverse areas encompassing energy storage and generation. Herein, a strategic design in which a metal–sulfur plane is integrated within a MOF to achieve high electrical conductivity, is successfully demonstrated. The MOF {[Cu 2 (6-Hmna)(6-mn)]·NH 4 } n ( 1 , 6-Hmna = 6-mercaptonicotinic acid, 6-mn = 6-mercaptonicotinate), consisting of a two dimensional (–Cu–S–) n plane, is synthesized from the reaction of Cu(NO 3 ) 2 , and 6,6′-dithiodinicotinic acid via the in situ cleavage of an S–S bond under hydrothermal conditions. A single crystal of the MOF is found to have a low activation energy (6 meV), small bandgap (1.34 eV) and a highest electrical conductivity (10.96 S cm −1 ) among MOFs for single crystal measurements. This approach provides an ideal roadmap for producing highly conductive MOFs with great potential for applications in batteries, thermoelectric, supercapacitors and related areas.

Purpose Counterfeiting is a menace in the emerging markets and many successful brands are falling prey to it. Counterfeit brands not only deceive consumers but also fuel a demand for lower priced replicas, both of which can devalue the bona-fide brand. But can consumers accurately identify a counterfeit logo? This paper aims to explore this question and examines the accuracy and speed with which a consumer can identify a counterfeit (vs original) logo. Design/methodology/approach Seven popular brand logos were altered by transposing and substituting the first and last letters of the logotypes. Consumers then classified the logos as counterfeit (vs original) across two experiments. Findings Participants were faster and more accurate in identifying a counterfeit logo when the first letter (vs last letter) of a logotype was manipulated, thus revealing last letter manipulations of a brand’s logotype to be more deceptive. Research limitations/implications This paper comments only on the manipulation of logotypes but not of logo symbols. Similarly, findings may not be generalizable across languages which are read from right to left. Practical implications Counterfeit trade is already a multibillion dollar industry. Understanding the key perceptual differentiators between a counterfeit (vs original) logo can be insightful for both consumers and firms alike. Originality/value Research available on objective measures of similarities (vs dissimilarities) between counterfeit (vs original) brand logos is limited. This paper contributes by examining the ability of consumers to discriminate between counterfeit (vs original) logos at different levels of visual similarity.