PubRank

Prasad V Bharatam

Author PubWeight™ 33.23‹?›

Top papers

Rank Title Journal Year PubWeight™‹?›
1 N-fused imidazoles as novel anticancer agents that inhibit catalytic activity of topoisomerase IIα and induce apoptosis in G1/S phase. J Med Chem 2011 1.07
2 Bonding trends of thiosemicarbazones in mononuclear and dinuclear copper(I) complexes: syntheses, structures, and theoretical aspects. Inorg Chem 2006 0.98
3 Solid-state characterization of rifampicin samples and its biopharmaceutic relevance. Eur J Pharm Sci 2004 0.98
4 Conformational polymorphism in sulfonylurea drugs: electronic structure analysis. J Phys Chem B 2010 0.97
5 A study of BF3-promoted ortho lithiation of anilines and DFT calculations on the role of fluorine-lithium interactions. Angew Chem Int Ed Engl 2008 0.90
6 Structure-based approaches in the design of GSK-3 selective inhibitors. Curr Protein Pept Sci 2007 0.87
7 Modelling and informatics in the analysis of P. falciparum DHFR enzyme inhibitors. Curr Med Chem 2008 0.85
8 Carbene generation by cytochromes and electronic structure of heme-iron-porphyrin-carbene complex: a quantum chemical study. Inorg Chem 2013 0.85
9 3D-QSAR and molecular docking studies on pyrazolopyrimidine derivatives as glycogen synthase kinase-3beta inhibitors. J Mol Graph Model 2006 0.84
10 Computer-aided molecular design of 1H-imidazole-2,4-diamine derivatives as potential inhibitors of Plasmodium falciparum DHFR enzyme. J Mol Model 2010 0.84
11 Dendrimer building toolkit: model building and characterization of various dendrimer architectures. J Comput Chem 2012 0.84
12 Minimum requirements of hydrophobic and hydrophilic features in cationic peptide antibiotics (CPAs): pharmacophore generation and validation with cationic steroid antibiotics (CSAs). J Mol Model 2008 0.81
13 A common feature-based 3D-pharmacophore model generation and virtual screening: identification of potential PfDHFR inhibitors. J Enzyme Inhib Med Chem 2010 0.81
14 Inclusion complexes of noscapine in beta-cyclodextrin offer better solubility and improved pharmacokinetics. Cancer Chemother Pharmacol 2009 0.80
15 Shape- and chemical feature-based 3D-pharmacophore model generation and virtual screening: identification of potential leads for P. falciparum DHFR enzyme inhibition. Chem Biol Drug Des 2009 0.80
16 Site-selective electrophilic cyclization and subsequent ring-opening: a synthetic route to pyrrolo[1,2-a]quinolines and indolizines. J Org Chem 2012 0.79
17 Investigation of potential glycogen synthase kinase 3 inhibitors using pharmacophore mapping and virtual screening. Chem Biol Drug Des 2006 0.79
18 Important pharmacophoric features of pan PPAR agonists: common chemical feature analysis and virtual screening. Eur J Med Chem 2009 0.79
19 3D-QSAR and molecular docking study on bisarylmaleimide series as glycogen synthase kinase 3, cyclin dependent kinase 2 and cyclin dependent kinase 4 inhibitors: an insight into the criteria for selectivity. Eur J Med Chem 2007 0.79
20 5-Fluorouracil mediated anti-cancer activity in colon cancer cells is through the induction of Adenomatous Polyposis Coli: Implication of the long-patch base excision repair pathway. DNA Repair (Amst) 2014 0.79
21 Origin of 1,3-induction in the addition of alkyl lithium to imines bearing an N-stereogenic center. Chem Commun (Camb) 2003 0.78
22 Additivity of molecular fields: CoMFA study on dual activators of PPARalpha and PPARgamma. J Med Chem 2005 0.78
23 Divalent N(I) character in 2-(thiazol-2-yl)guanidine: an electronic structure analysis. J Phys Chem A 2012 0.78
24 2-Aminopyrimidine based 4-aminoquinoline anti-plasmodial agents. Synthesis, biological activity, structure-activity relationship and mode of action studies. Eur J Med Chem 2012 0.78
25 3D-QSAR studies of substituted 1-(3, 3-diphenylpropyl)-piperidinyl amides and ureas as CCR5 receptor antagonists. J Mol Model 2007 0.78
26 Electronic structure and reactivity of guanylthiourea: a quantum chemical study. J Comput Chem 2010 0.78
27 To bend or not to bend! The dilemma of allenes. J Org Chem 2011 0.77
28 New PPARgamma ligands based on 2-hydroxy-1,4-naphthoquinone: computer-aided design, synthesis, and receptor-binding studies. Bioorg Med Chem Lett 2008 0.77
29 Novel (+)N(<--L)2 species with two lone pairs on nitrogen: systems isoelectronic to carbodicarbenes. Chem Commun (Camb) 2009 0.77
30 Metabolic-intermediate complex formation with cytochrome P450: theoretical studies in elucidating the reaction pathway for the generation of reactive nitroso intermediate. J Comput Chem 2012 0.77
31 New PPARgamma ligands based on barbituric acid: virtual screening, synthesis and receptor binding studies. Bioorg Med Chem Lett 2008 0.77
32 Identification of potential glycogen kinase-3 inhibitors by structure based virtual screening. Biophys Chem 2007 0.77
33 A new chiral shift reagent for the determination of enantiomeric excess and absolute configuration in cyanohydrins. Chem Commun (Camb) 2009 0.77
34 Structural elaboration of a natural product: identification of 3,3'-diindolylmethane aminophosphonate and urea derivatives as potent anticancer agents. ChemMedChem 2013 0.77
35 C-H bond functionalization under metalation-deprotonation process: regioselective direct arylation of 3-aminoimidazo[1,2-a]pyrazine. J Org Chem 2012 0.77
36 In(III) triflate-mediated solvent-free synthesis and activation of thioglycosides by ball milling and structural analysis of long chain alkyl thioglycosides by TEM and quantum chemical methods. J Org Chem 2014 0.77
37 Mechanism-based inactivation of cytochromes by furan epoxide: unraveling the molecular mechanism. Inorg Chem 2013 0.77
38 New leads for selective GSK-3 inhibition: pharmacophore mapping and virtual screening studies. J Comput Aided Mol Des 2006 0.77
39 'Sum of activities' as dependent parameter: a new CoMFA-based approach for the design of pan PPAR agonists. Eur J Med Chem 2008 0.77
40 Divalent N(I) compounds with two lone pairs on nitrogen. J Phys Chem A 2011 0.77
41 CoMFA analysis of dual/multiple PPAR activators. Eur J Med Chem 2008 0.76
42 Origins of the specificity of inhibitor P218 toward wild-type and mutant PfDHFR: a molecular dynamics analysis. J Biomol Struct Dyn 2014 0.76
43 Design of glycogen synthase kinase-3 inhibitors: an overview on recent advancements. Curr Pharm Des 2013 0.76
44 3D-QSAR analysis of cycloguanil derivatives as inhibitors of A16V + S108T mutant Plasmodium falciparum dihydrofolate reductase enzyme. J Mol Graph Model 2009 0.76
45 Comparative molecular similarity indices analysis (CoMSIA) studies of 1,2-naphthoquinone derivatives as PTP1B inhibitors. Bioorg Med Chem 2005 0.76
46 Enhanced noscapine delivery using estrogen-receptor-targeted nanoparticles for breast cancer therapy. Anticancer Drugs 2014 0.76
47 Structure based de novo design of novel glycogen synthase kinase 3 inhibitors. Bioorg Med Chem 2007 0.75
48 Pharmacoinformatic approaches to understand complexation of dendrimeric nanoparticles with drugs. Nanoscale 2014 0.75
49 Comparative 3D QSAR study on β(1)-, β(2)-, and β(3)-adrenoceptor agonists. Med Chem Res 2009 0.75
50 Cobalt(II) catalyzed C(sp)-H bond functionalization of alkynes with phenyl hydrazines: facile access to diaryl 1,2-diketones. Org Biomol Chem 2015 0.75
51 CuBr catalyzed aerobic oxidative coupling of 2-aminopyridines with cinnamaldehydes: direct access to 3-formyl-2-phenyl-imidazo[1,2-a]pyridines. Org Biomol Chem 2015 0.75
52 Selectivity criterion for pyrazolo[3,4-b]pyrid[az]ine derivatives as GSK-3 inhibitors: CoMFA and molecular docking studies. Eur J Med Chem 2007 0.75
53 Cu-catalyzed arylation of the amino group in the indazole ring: regioselective synthesis of pyrazolo-carbazoles. Org Biomol Chem 2015 0.75
54 Existence of dynamic tautomerism and divalent N(I) character in N-(pyridin-2-yl)thiazol-2-amine. J Comput Chem 2013 0.75
55 Chiral solvating agents for cyanohydrins and carboxylic acids. J Org Chem 2010 0.75
56 Studies on some glitazones having pyridine as the linker unit. Bioorg Med Chem 2004 0.75
57 3D-QSAR and molecular docking studies on 3-anilino-4-arylmaleimide derivatives as glycogen synthase kinase-3β inhibitors. Chem Biol Drug Des 2012 0.75
58 Toxic metabolite formation from Troglitazone (TGZ): new insights from a DFT study. Chem Res Toxicol 2011 0.75
59 Entrapment and kinetic resolution of stabilized axial and equatorial conformers of spiro-β-lactams. J Org Chem 2011 0.75
60 A simple, mild, and regioselective method for the benzylation of carbohydrate derivatives promoted by silver carbonate. Carbohydr Res 2010 0.75
61 CYP isoform specificity toward drug metabolism: analysis using common feature hypothesis. J Mol Model 2011 0.75
62 Pharmacophoric features of drugs with guanylurea moiety: an electronic structure analysis. J Mol Model 2013 0.75
63 Formation/fate of reactive metabolites from general anesthetics and a comparison of toxic and non-toxic analogues: a DFT study. Drug Metab Lett 2012 0.75
64 Synthesis, in vitro and in silico evaluation of l-tyrosine containing PPARalpha/gamma dual agonists. Bioorg Med Chem 2006 0.75
65 Investigation of anion-π interactions involving thiophene walls incorporated calix[4]pyrroles. J Org Chem 2015 0.75
66 Density functional study on the cytochrome-mediated S-oxidation: identification of crucial reactive intermediate on the metabolic path of thiazolidinediones. J Phys Chem A 2012 0.75
67 Synthesis of 2-phenylnaphthalenes from styryl-2-methoxybenzenes. Chem Commun (Camb) 2014 0.75
68 An experimental and computational study of stereoselectivity and reactivity in Lewis acid promoted lithiation-substitution of tertiary amines. J Am Chem Soc 2007 0.75
69 A new colorimetric chemodosimeter for Hg2+ based on charge-transfer compound of N-methylpyrrole with TCNQ. Talanta 2010 0.75
70 S-oxidation of thiazolidinedione with hydrogen peroxide, peroxynitrous acid, and C4a-hydroperoxyflavin: a theoretical study. J Phys Chem A 2011 0.75
71 On the stability of zwitterions of pyridine sulfonylureas: the effect of isosterism, acidity, and microsolvation. J Phys Chem A 2013 0.75
72 3D-QSAR CoMFA study on oxindole derivatives as cyclin dependent kinase 1 (CDK1) and cyclin dependent kinase 2 (CDK2) inhibitors. Med Chem 2007 0.75
73 3D-QSAR studies of pyruvate dehydrogenase kinase inhibitors based on a divide and conquer strategy. Bioorg Med Chem 2004 0.75
74 Possibility of the existence of donor-acceptor interactions in bis(azole)amines: an electronic structure analysis. J Org Chem 2014 0.75
75 Design of benzene-1,2-diamines as selective inducible nitric oxide synthase inhibitors: a combined de novo design and docking analysis. J Mol Model 2008 0.75
76 Self-association behavior of a novel nonproteinogenic β-strand-mimic in an organic solvent. J Phys Chem B 2014 0.75
77 Importance of cytochromes in cyclization reactions: quantum chemical study on a model reaction of proguanil to cycloguanil. J Comput Chem 2014 0.75