Search Results - "Shamim, Anwar"

Differential specificity of SARS-CoV-2 main protease variants on peptide versus protein-based substrates by Rocho, Fernanda R, Snipas, Scott J, Shamim, Anwar, Rut, Wioletta, Drag, Marcin, Montanari, Carlos A, Salvesen, Guy S

“…The SARS-CoV-2 main protease (M ) holds significant importance as a biological target in combating coronaviruses due to its importance in virus replication…”
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Role of active site rigidity in activity: MD simulation and fluorescence study on a lipase mutant by Kamal, Md Zahid, Mohammad, Tabrez Anwar Shamim, Krishnamoorthy, G, Rao, Nalam Madhusudhana

“…Relationship between stability and activity of enzymes is maintained by underlying conformational flexibility. In thermophilic enzymes, a decrease in…”
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Leaf tissue metabolomics fingerprinting of Citronella gongonha Mart. by 1H HR-MAS NMR by Ali, Sher, Badshah, Gul, Ali, Umar, Siddique Afridi, Muhammad, Shamim, Anwar, Khan, Ajmir, Luiz Felipe Soares, Frederico, Rocha Alencar Menezes, Leociley, Theodoro Rezende, Vanessa, Barison, Andersson, Fernandes de Oliveira, Carlos Augusto, Gustavo Tonin, Fernando

“…This research characterizes key metabolites in the leaf from Citronella gongonha Martius (Mart.) Howard (Cardiopteridaceae). All metabolites were assessed in…”
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Stereoselective Oxa‐Michael Addition of Tyrosine to Propargyl Aldehyde/Esters: Formation of Benzofurans and Flavones by Vasconcelos, Stanley N. S., Oliveira, Isadora Maria, Shamim, Anwar, Zukerman‐Schpector, Julio, Pimenta, Daniel C., Stefani, Hélio A.

“…The steroselective oxa‐Michael addition of the phenol moiety present in tyrosine and 3‐iodotyrosine to different propargyl aldehydes delivered products with…”
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Crystal structure of [(2R,3R,4S)-3,4-bis(acet-yloxy)-5-iodo-3,4-di-hydro-2H-pyran-2-yl]methyl acetate by Zukerman-Schpector, Julio, Caracelli, Ignez, Stefani, Hélio A, Shamim, Anwar, Tiekink, Edward R T

“…In the title compound, C12H15IO7, the 3,4-di-hydro-2H-pyran ring is in a distorted half-boat conformation with the atom bearing the acet-yloxy group adjacent…”
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Support Vector Machine-based classification of protein folds using the structural properties of amino acid residues and amino acid residue pairs by Shamim, Mohammad Tabrez Anwar, Anwaruddin, Mohammad, Nagarajaram, H.A.

“…Motivation: Fold recognition is a key step in the protein structure discovery process, especially when traditional sequence comparison methods fail to yield…”
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A Hierarchical Approach to Protein Fold Prediction by Mohammad, Tabrez Anwar Shamim, Nagarajaram, Hampapathalu Adimurthy

“…Fold recognition, assigning novel proteins to known structures, forms an important component of the overall protein structure discovery process. The available…”
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A Hierarchical Approach to Protein Fold Prediction by Mohammad, Tabrez Anwar Shamim, Nagarajaram, Hampapathalu Adimurthy

“…Fold recognition, assigning novel proteins to known structures, forms an important component of the overall protein structure discovery process. The available…”
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Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations by Bonatto, Vinícius, Shamim, Anwar, Rocho, Fernanda dos R, Leitão, Andrei, Luque, F. Javier, Lameira, Jerônimo, Montanari, Carlos A

“…Covalent inhibitors are assuming central importance in drug discovery projects, especially in this pandemic scenario. Many research groups have focused their…”
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Antioxidant and anti-sickling activity of glucal-based triazoles compounds – An in vitro and in silico study by Vieira Veloso, Rodinei, Shamim, Anwar, Lamarrey, Yann, Stefani, Hélio A., Mozer Sciani, Juliana

“…[Display omitted] •Screening of antioxidant activity on glucal-triazol derived molecules.•Selection of one molecule that reduces reactive oxygen species in red…”
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Ligand and copper free Sonogashira coupling to achieve 2-alkynyl d-glucal derivatives: regioselective electrophile promoted nucleophilic 5-endo-dig cyclization by Shamim, Anwar, Vasconcelos, Stanley N.S., Ali, Bakhat, Madureira, Lucas Sousa, Zukerman-Schpector, J., Stefani, Hélio A.

“…[Display omitted] A general approach for the synthesis of 2-alkynyl-d-glucal derivatives has been achieved through a ligand and copper-free Sonogashira…”
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Design, synthesis and stepwise optimization of nitrile-based inhibitors of cathepsins B and L by Cianni, Lorenzo, Rocho, Fernanda Dos Reis, Bonatto, Vinícius, Martins, Felipe Cardoso Prado, Lameira, Jerônimo, Leitão, Andrei, Montanari, Carlos A., Shamim, Anwar

“…[Display omitted] Human cathepsin B (CatB) is an important biological target in cancer therapy. In this work, we performed a knowledge-based design approach…”
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Synthesis of a library of glucal-derived triazoles via copper-catalyzed azide–alkyne cyclization by Shamim, Anwar, Souza, Frederico B., Vasconcelos, Stanley N.S., Stefani, Hélio A.

“…[Display omitted] •Synthesis of glucal triazoles.•Copper-catalyzed azide-alkyne cyclization.•Glucal triazoles compounds have potential biological activities. A…”
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Synthesis, biochemical evaluation and molecular modeling studies of nonpeptidic nitrile-based fluorinated compounds by Fonseca Lameiro, Rafael da, Shamim, Anwar, Rosini, Fabiana, Cendron, Rodrigo, Jatai Batista, Pedro Henrique, Montanari, Carlos Alberto

“…Compounds that block enzyme activity can kill pathogens and help develop effective and safe drugs for Chagas disease and leishmaniasis. A library of…”
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Optimization strategy of single-digit nanomolar cross-class inhibitors of mammalian and protozoa cysteine proteases by Cianni, Lorenzo, Rocho, Fernanda dos Reis, Rosini, Fabiana, Bonatto, Vinícius, Ribeiro, Jean F.R., Lameira, Jerônimo, Leitão, Andrei, Shamim, Anwar, Montanari, Carlos A.

“…[Display omitted] •Inhibition of a panel of cysteine proteases.•Identification of activity cliffs.•ITC used to drive the optimization process for covalent…”
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Lewis-acid catalyzed N-acyliminium ion cyclodimerization: synthesis of symmetrical 1,4-dioxanes by Ali, Bakhat, Zukerman-Schpector, Julio, Ferreira, Fernando P., Shamim, Anwar, Pimenta, Daniel C., Stefani, Hélio A.

“…[Display omitted] The cyclodimerization reaction of N-substituted-5-hydroxy-pyrrolydinones promoted by BF3·Et2O and HCl to obtain symmetrical 1,4-dioxane…”
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Dipeptidyl nitrile derivatives suppress the Trypanosoma cruzi in vitro infection by Quilles, José C., Shamim, Anwar, Tezuka, Daiane Y., Batista, Pedro H.J., Lopes, Carla D., de Albuquerque, Sérgio, Montanari, Carlos A., Leitão, Andrei

“…Chagas disease affects several countries around the world with health and sanitation problems. Cysteine proteases are essential for the virulence and…”
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Frequency of anti-tuberculous therapy-induced hepatotoxicity in patients and their outcome by Tariq, Sumbal, Khan, Tahir Saleem, Malik, Saqib, Anwar, M Shamim, Rashid, Abdul

“…Tuberculosis (TB) is a very common droplet infection especially in the northern areas. If untreated, the disease may be fatal within 5 years in more than half…”
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Synthesis and applications of 4-substituted 1-(4-iodophenyl)pyrrolidine-2,5-diones by Ali, Bakhat, Shamim, Anwar, Vasconcelos, Stanley N.S., Stefani, Hélio A.

“…[Display omitted] The synthesis of 4-substituted 1-(4-iodophenyl)pyrrolidine-2,5-dione derivatives was achieved through an addition reaction between amines and…”
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Leaf tissue metabolomics fingerprinting of Citronella gongonha Mart. by 1 H HR-MAS NMR by Ali, Sher, Badshah, Gul, Ali, Umar, Siddique Afridi, Muhammad, Shamim, Anwar, Khan, Ajmir, Luiz Felipe Soares, Frederico, Rocha Alencar Menezes, Leociley, Theodoro Rezende, Vanessa, Barison, Andersson, Fernandes de Oliveira, Carlos Augusto, Gustavo Tonin, Fernando

“…This research characterizes key metabolites in the leaf from Citronella gongonha Martius (Mart.) Howard (Cardiopteridaceae). All metabolites were assessed in…”
Get full text