Rana Rais, Ph.D. - Related publications

2010 Pharmaceutical Sciences University of Maryland School of Medicine, Baltimore, MD, United States 
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50 most relevant papers in past 60 days:
Year Citation  Score
2020 Fersing C, Boudot C, Castera-Ducros C, Pinault E, Hutter S, Paoli-Lombardo R, Primas N, Pedron J, Seguy L, Bourgeade-Delmas S, Sournia-Saquet A, Stigliani JL, Brossas JY, Paris L, Valentin A, et al. 8-Alkynyl-3-nitroimidazopyridines display potent antitrypanosomal activity against both T. b. brucei and cruzi. European Journal of Medicinal Chemistry. 202: 112558. PMID 32652409 DOI: 10.1016/j.ejmech.2020.112558   
2020 Kong Z, Sun D, Jiang Y, Hu Y. Design, synthesis, and evaluation of 1, 4-benzodioxan-substituted chalcones as selective and reversible inhibitors of human monoamine oxidase B. Journal of Enzyme Inhibition and Medicinal Chemistry. 35: 1513-1523. PMID 32705910 DOI: 10.1080/14756366.2020.1797711   
2020 Kronenberger T, Ferreira GM, de Souza ADF, da Silva Santos S, Poso A, Ribeiro JA, Tavares MT, Pavan FR, Trossini GHG, Dias MVB, Parise-Filho R. Design, synthesis and biological activity of novel substituted 3-benzoic acid derivatives as MtDHFR inhibitors. Bioorganic & Medicinal Chemistry. 28: 115600. PMID 32631571 DOI: 10.1016/j.bmc.2020.115600   
2020 da Silva Hage-Melim LI, Federico LB, de Oliveira NKS, Francisco VCC, Correa LC, de Lima HB, Gomes SQ, Barcelos MP, Francischini IAG, de Paula da Silva CHT. Virtual screening, ADME/Tox predictions and the drug repurposing concept for future use of old drugs against the COVID-19. Life Sciences. 117963. PMID 32535080 DOI: 10.1016/j.lfs.2020.117963   
2020 Rahman SU, Ali HS, Jafari B, Zaib S, Hameed A, Al-Kahraman YMSA, Langer P, Iqbal J. Structure-based virtual screening of dipeptidyl peptidase 4 inhibitors and their in vitro analysis. Computational Biology and Chemistry. 107326. PMID 32739275 DOI: 10.1016/j.compbiolchem.2020.107326   
2020 Li XN, Hua LX, Zhou TS, Wang KB, Wu YY, Emam M, Bao XZ, Chen J, Wei B. Cinnamic acid derivatives: inhibitory activity against -glucuronidase and structure-activity relationships. Journal of Enzyme Inhibition and Medicinal Chemistry. 35: 1372-1378. PMID 32571102 DOI: 10.1080/14756366.2020.1780225   
2020 He Q, Han C, Li G, Guo H, Wang Y, Hu Y, Lin Z, Wang Y. In silico design novel (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine derivatives as inhibitors for glycogen synthase kinase 3 based on 3D-QSAR, molecular docking and molecular dynamics simulation. Computational Biology and Chemistry. 88: 107328. PMID 32688011 DOI: 10.1016/j.compbiolchem.2020.107328   
2020 de Souza TB, Caldas IS, Paula FR, Rodrigues CC, Carvalho DT, Dias DF. Synthesis, activity, and molecular modeling studies of 1,2,3-triazole derivatives from natural phenylpropanoids as new trypanocidal agents. Chemical Biology & Drug Design. 95: 124-129. PMID 31569301 DOI: 10.1111/cbdd.13628   
2020 Gonçalves DS, de S Melo SM, Jacomini AP, J V da Silva M, Pianoski KE, Ames FQ, Aguiar RP, Oliveira AF, Volpato H, Bidóia DL, Nakamura CV, Bersani-Amado CA, Back DF, Moura S, Paula FR, et al. Synthesis of novel 3,5,6-trisubstituted 2-pyridone derivatives and evaluation for their anti-inflammatory activity. Bioorganic & Medicinal Chemistry. 28: 115549. PMID 32503692 DOI: 10.1016/j.bmc.2020.115549   
2020 Vittorio S, Ielo L, Mirabile S, Gitto R, Fais A, Floris S, Rapisarda A, Germanò MP, De Luca L. 4-Fluorobenzylpiperazine-containing derivatives as efficient inhibitors of mushroom tyrosinase. Chemmedchem. PMID 32692882 DOI: 10.1002/cmdc.202000125   
2020 Liu P, Fan S, Wang B, Cao R, Wang X, Li S, Lu Y, Zhong W. Design, synthesis and biological evaluation of novel triaryldimethylaminobutan-2-ol derivatives against Mycobacterium tuberculosis. Bioorganic Chemistry. 102: 104054. PMID 32663665 DOI: 10.1016/j.bioorg.2020.104054   
2020 Ibrahim TS, Taher ES, Samir E, M Malebari A, Khayyat AN, Mohamed MFA, Bokhtia RM, AlAwadh MA, Seliem IA, Asfour HZ, Alhakamy NA, Panda SS, Al-Mahmoudy AMM. In Vitro Antimycobacterial Activity and Physicochemical Characterization of Diaryl Ether Triclosan Analogues as Potential InhA Reductase Inhibitors. Molecules (Basel, Switzerland). 25. PMID 32650556 DOI: 10.3390/molecules25143125   
2020 Abdel Karim SE, Youssef YH, Abdel-Halim M, Frakolaki E, Vassilaki N, Zoidis G, Ahmed NS, Abadi AH. Symmetric benzidine derivatives as anti-HCV agents: Insight into the nature, stereochemistry of the capping amino acid and the size of the terminal capping carbamates. Bioorganic Chemistry. 102: 104089. PMID 32717691 DOI: 10.1016/j.bioorg.2020.104089   
2020 Woo HS, Shin KC, Kim JY, Kim YS, Ban YJ, Oh YJ, Cho HJ, Oh DK, Kim DW. Bakkenolides and Caffeoylquinic Acids from the Aerial Portion of and Their Bacterial Neuraminidase Inhibition Ability. Biomolecules. 10. PMID 32532086 DOI: 10.3390/biom10060888   
2020 Krátký M, Baranyai Z, Štěpánková Š, Svrčková K, Švarcová M, Stolaříková J, Horváth L, Bősze S, Vinšová J. -Alkyl-2-[4-(trifluoromethyl)benzoyl]hydrazine-1-carboxamides and Their Analogues: Synthesis and Multitarget Biological Activity. Molecules (Basel, Switzerland). 25. PMID 32408517 DOI: 10.3390/molecules25102268   
2020 Karataş MO, Noma SAA, Gürses C, Balcıoğlu S, Ateş B, Alıcı B, Çakır Ü. Water Soluble Coumarin Quaternary Ammonium Chlorides: Synthesis and Biological Evaluation. Chemistry & Biodiversity. PMID 32638471 DOI: 10.1002/cbdv.202000258   
2020 Thawai C, Bunbamrung N, Pittayakhajonwut P, Chongruchiroj S, Pratuangdejkul J, He YW, Tadtong S, Sareedenchai V, Prombutara P, Qian Y. A novel diterpene agent isolated from Microbispora hainanensis strain CSR-4 and its in vitro and in silico inhibition effects on acetylcholine esterase enzyme. Scientific Reports. 10: 11058. PMID 32632152 DOI: 10.1038/s41598-020-68009-y   
2020 da Silva IR, Parise MR, Pereira M, da Silva RA. Prospecting for new catechol--methyltransferase (COMT) inhibitors as a potential treatment for Parkinson's disease: a study by molecular dynamics and structure-based virtual screening. Journal of Biomolecular Structure & Dynamics. 1-20. PMID 32691671 DOI: 10.1080/07391102.2020.1794963   
2020 An Y, Dong Y, Min L, Zhao L, Zhao D, Han J, Sun B. Construction and Evaluation of Molecular Models: Guide and Design of Novel SE Inhibitors. Acs Medicinal Chemistry Letters. 11: 1152-1159. PMID 32550995 DOI: 10.1021/acsmedchemlett.0c00017   
2020 Ahmed Al-Hadhrami N, Ladwig A, Rahman A, Rozas I, Paul G Malthouse J, Evans P. Synthesis of 2-guanidinyl pyridines and their trypsin inhibition and docking. Bioorganic & Medicinal Chemistry. 28: 115612. PMID 32690267 DOI: 10.1016/j.bmc.2020.115612   
2020 Hung HC, Ke YY, Huang SY, Huang PN, Kung YA, Chang TY, Yen KJ, Peng TT, Chang SE, Huang CT, Tsai YR, Wu SH, Lee SJ, Lin JH, Liu BS, et al. Discovery of M Protease inhibitors encoded by SARS-CoV-2. Antimicrobial Agents and Chemotherapy. PMID 32669265 DOI: 10.1128/AAC.00872-20   
2020 Taviano MF, Miceli N, Acquaviva R, Malfa GA, Ragusa S, Giordano D, Cásedas G, Les F, López V. Cytotoxic, Antioxidant, and Enzyme Inhibitory Properties of the Traditional Medicinal Plant (L.) R. Br. Biology. 9. PMID 32668697 DOI: 10.3390/biology9070163   
2020 Is YS, Aksoydan B, Senturk M, Yurtsever M, Durdagi S. Integrated Binary QSAR-Driven Virtual Screening and in vitro Studies for Finding Novel hMAO-B-Selective Inhibitors. Journal of Chemical Information and Modeling. PMID 32672456 DOI: 10.1021/acs.jcim.0c00169   
2020 Mulder T, Bobba S, Johnson K, Grandner JM, Wang W, Zhang C, Cai J, Choo EF, Khojasteh SC, Zhang D. . Drug Metabolism and Disposition: the Biological Fate of Chemicals. PMID 32616543 DOI: 10.1124/dmd.120.000096   
2020 Wei Q, Mei L, Chen P, Yuan X, Zhang H, Zhou J. Design, synthesis and biological evaluation of novel chroman derivatives as non-selective acetyl-CoA carboxylase inhibitors. Bioorganic Chemistry. 101: 103943. PMID 32554277 DOI: 10.1016/j.bioorg.2020.103943   
2020 Glaenzel U, Jin Y, Hansen R, Schroer K, Rahmanzadeh G, Pfaar U, van Lier JJ, Borell H, Meissner A, Camenisch G, Zhao S. Absorption, Distribution, Metabolism, and Excretion (ADME) of Capmatinib (INC280) in Healthy Male Volunteers and In Vitro Aldehyde Oxidase Phenotyping of the Major Metabolite. Drug Metabolism and Disposition: the Biological Fate of Chemicals. PMID 32665418 DOI: 10.1124/dmd.119.090324   
2020 Spiegel M, Kapusta K, Kołodziejczyk W, Saloni J, Żbikowska B, Hill GA, Sroka Z. Antioxidant Activity of Selected Phenolic Acids-Ferric Reducing Antioxidant Power Assay and QSAR Analysis of the Structural Features. Molecules (Basel, Switzerland). 25. PMID 32645868 DOI: 10.3390/molecules25133088   
2020 Zanon VS, Lima JA, Amaral RF, Lima FRS, Kitagawa DAS, França TCC, Vargas MD. Design, synthesis, molecular modeling and neuroprotective effects of a new framework of cholinesterase inhibitors for Alzheimer's disease. Journal of Biomolecular Structure & Dynamics. 1-14. PMID 32715924 DOI: 10.1080/07391102.2020.1796796   
2020 Era B, Delogu GL, Pintus F, Fais A, Gatto G, Uriarte E, Borges F, Kumar A, Matos MJ. Looking for new xanthine oxidase inhibitors: 3-Phenylcoumarins versus 2-phenylbenzofurans. International Journal of Biological Macromolecules. PMID 32574739 DOI: 10.1016/j.ijbiomac.2020.06.152   
2020 Perez-Castillo Y, Lima TC, Ferreira AR, Silva CR, Campos RS, Neto JBA, Magalhães HIF, Cavalcanti BC, Júnior HVN, de Sousa DP. Bioactivity and Molecular Docking Studies of Derivatives from Cinnamic and Benzoic Acids. Biomed Research International. 2020: 6345429. PMID 32596343 DOI: 10.1155/2020/6345429   
2020 Vanjare BD, Mahajan PG, Dige NC, Raza H, Hassan M, Seo SY, Lee KH. Synthesis of novel xanthene based analogues: Their optical properties, jack bean urease inhibition and molecular modelling studies. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 241: 118667. PMID 32693367 DOI: 10.1016/j.saa.2020.118667   
2020 Vanjare BD, Mahajan PG, Dige NC, Raza H, Hassan M, Seo SY, Lee KH. Synthesis of novel xanthene based analogues: Their optical properties, jack bean urease inhibition and molecular modelling studies. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 241: 118667. PMID 32693367 DOI: 10.1016/j.saa.2020.118667   
2020 Gavara L, Verdirosa F, Legru A, Mercuri PS, Nauton L, Sevaille L, Feller G, Berthomieu D, Sannio F, Marcoccia F, Tanfoni S, De Luca F, Gresh N, Galleni M, Docquier JD, et al. 4-(-Alkyl- and -Acyl-amino)-1,2,4-triazole-3-thione Analogs as Metallo-β-Lactamase Inhibitors: Impact of 4-Linker on Potency and Spectrum of Inhibition. Biomolecules. 10. PMID 32717907 DOI: 10.3390/biom10081094   
2020 Han H, Li C, Li M, Yang L, Zhao S, Wang Z, Liu H, Liu D. Design, Synthesis, and Biological Evaluation of 8-Mercapto-3,7-Dihydro-1-Purine-2,6-Diones as Potent Inhibitors of SIRT1, SIRT2, SIRT3, and SIRT5. Molecules (Basel, Switzerland). 25. PMID 32549218 DOI: 10.3390/molecules25122755   
2020 Lei S, Zhang D, Qi Y, Chowdhury SR, Sun R, Wang J, Du Y, Fu L, Jiang F. Synthesis and biological evaluation of geniposide derivatives as potent and selective PTPlB inhibitors. European Journal of Medicinal Chemistry. 205: 112508. PMID 32738350 DOI: 10.1016/j.ejmech.2020.112508   
2020 Zhu B, Dong Y, Ma J, Chen M, Ruan S, Zhao W, Feng J. The synthesis and activity evaluation of N-acylated analogs of echinocandin B with improved solubility and lower toxicity. Journal of Peptide Science : An Official Publication of the European Peptide Society. e3278. PMID 32743839 DOI: 10.1002/psc.3278   
2020 De Ruysscher D, Pang L, Mattelaer CA, Nautiyal M, De Graef S, Rozenski J, Strelkov SV, Lescrinier E, Weeks SD, Van Aerschot A. Phenyltriazole-functionalized sulfamate inhibitors targeting tyrosyl- or isoleucyl-tRNA synthetase. Bioorganic & Medicinal Chemistry. 28: 115580. PMID 32631562 DOI: 10.1016/j.bmc.2020.115580   
2020 Abrahams KA, Hu W, Li G, Lu Y, Richardson EJ, Loman NJ, Huang H, Besra GS. Anti-tubercular derivatives of rhein require activation by the monoglyceride lipase Rv0183. Cell Surface (Amsterdam, Netherlands). 6: 100040. PMID 32743152 DOI: 10.1016/j.tcsw.2020.100040   
2020 Kavianpour P, Gemmell MCM, Kahlert JU, Rendina LM. Histone Deacetylase 2 (HDAC2) Inhibitors Containing Boron. Chembiochem : a European Journal of Chemical Biology. PMID 32367603 DOI: 10.1002/cbic.202000131   
2020 Nasiri H, Han Z, Ange H, Qin Y, Stegmann D, Tuz K, Amati AM, Fritz G, Juarez O, Lashley D, Bischoff I, Fürst R. Concise synthesis of 1,4-benzoquinone based natural products as mitochondrial complex I substrates and substrate-based inhibitors. Chemmedchem. PMID 32730688 DOI: 10.1002/cmdc.202000307   
2020 Dan NT, Quang HD, Van Truong V, Huu Nghi D, Cuong NM, Cuong TD, Toan TQ, Bach LG, Anh NHT, Mai NT, Lan NT, Van Chinh L, Quan PM. Design, synthesis, structure, in vitro cytotoxic activity evaluation and docking studies on target enzyme GSK-3β of new indirubin-3'-oxime derivatives. Scientific Reports. 10: 11429. PMID 32651416 DOI: 10.1038/s41598-020-68134-8   
2020 Ujan R, Saeed A, Ashraf S, Channar PA, Abbas Q, Rind MA, Hassan M, Raza H, Seo SY, El-Seedi HR. Synthesis, computational studies and enzyme inhibitory kinetics of benzothiazole-linked thioureas as mushroom tyrosinase inhibitors. Journal of Biomolecular Structure & Dynamics. 1-9. PMID 32762529 DOI: 10.1080/07391102.2020.1804459   
2020 Yu B, Zhou S, Cao L, Hao Z, Yang D, Guo X, Zhang N, Bakulev VA, Fan Z. Design, Synthesis and Evaluation of Antifungal Activity of Novel Pyrazole-thiazole Carboxamides as Succinate Dehydrogenase Inhibitors. Journal of Agricultural and Food Chemistry. PMID 32530619 DOI: 10.1021/acs.jafc.0c00062   
2020 Gehling VS, McGrath JP, Duplessis M, Khanna A, Brucelle F, Vaswani RG, Côté A, Stuckey J, Watson V, Cummings RT, Balasubramanian S, Iyer P, Sawant P, Good AC, Albrecht BK, et al. Design and Synthesis of Styrenylcyclopropylamine LSD1 Inhibitors. Acs Medicinal Chemistry Letters. 11: 1213-1220. PMID 32551003 DOI: 10.1021/acsmedchemlett.0c00060   
2020 Zhao H, Wang B, Fu L, Li G, Lu H, Liu Y, Sheng L, Li Y, Zhang B, Lu Y, Ma C, Huang H, Zhang D, Lu Y. The Discovery of a Conformationally Constrained Oxazolidinone with Improved Safety and Efficacy Profiles for the Treatment of Multidrug-Resistant Tuberculosis. Journal of Medicinal Chemistry. PMID 32666789 DOI: 10.1021/acs.jmedchem.0c00500   
2020 Maliyakkal N, Eom BH, Heo JH, Abdullah Almoyad MA, Thomas Parambi DG, Gambacorta N, Nicolotti O, Beeran AA, Kim H, Mathew B. A New Potent and Selective Monoamine Oxidase-B Inhibitor with Extended Conjugation in a Chalcone Framework: 1-[4-(Morpholin-4-yl)phenyl]-5-phenylpenta-2,4-dien-1-one. Chemmedchem. PMID 32583952 DOI: 10.1002/cmdc.202000305   
2020 Kısa D, Korkmaz N, Taslimi P, Tuzun B, Tekin Ş, Karadag A, Şen F. Bioactivity and molecular docking studies of some nickel complexes: New analogues for the treatment of Alzheimer, glaucoma and epileptic diseases. Bioorganic Chemistry. 101: 104066. PMID 32650180 DOI: 10.1016/j.bioorg.2020.104066   
2020 Tang WZ, Liu JT, Hu Q, He RJ, Guan XQ, Ge GB, Han H, Yang F, Lin HW. Pancreatic Lipase Inhibitory Cyclohexapeptides from the Marine Sponge-Derived Fungus sp. 151304. Journal of Natural Products. PMID 32662266 DOI: 10.1021/acs.jnatprod.0c00549   
2020 Berishvili VP, Kuimov AN, Voronkov AE, Radchenko EV, Kumar P, Choonara YE, Pillay V, Kamal A, Palyulin VA. Discovery of Novel Tankyrase Inhibitors through Molecular Docking-Based Virtual Screening and Molecular Dynamics Simulation Studies. Molecules (Basel, Switzerland). 25. PMID 32664504 DOI: 10.3390/molecules25143171   
2020 Berishvili VP, Kuimov AN, Voronkov AE, Radchenko EV, Kumar P, Choonara YE, Pillay V, Kamal A, Palyulin VA. Discovery of Novel Tankyrase Inhibitors through Molecular Docking-Based Virtual Screening and Molecular Dynamics Simulation Studies. Molecules (Basel, Switzerland). 25. PMID 32664504 DOI: 10.3390/molecules25143171