Xu J, Tan HB, Zhang YJ, Tang DY, Zhan F, Li HY, Chen ZZ, Xu ZG. Catalyst-Free One-Pot Synthesis of Densely Substituted Pyrazole-Pyrazines as Anti-Colorectal Cancer Agents. Sci Rep. 2020 06 09; 10(1):9281.

Zhang X, Thummuri D, Liu X, Hu W, Zhang P, Khan S, Yuan Y, Zhou D, Zheng G. Discovery of PROTAC BCL-XL degraders as potent anticancer agents with low on-target platelet toxicity. Eur J Med Chem. 2020 Apr 15; 192:112186.

Shukla RP, Dewangan J, Urandur S, Banala VT, Diwedi M, Sharma S, Agrawal S, Rath SK, Trivedi R, Mishra PR. Multifunctional hybrid nanoconstructs facilitate intracellular localization of doxorubicin and genistein to enhance apoptotic and anti-angiogenic efficacy in breast adenocarcinoma. Biomater Sci. 2020 Mar 07; 8(5):1298-1315.

Soldovieri MV, Ambrosino P, Mosca I, Miceli F, Franco C, Canzoniero LMT, Kline-Fath B, Cooper EC, Venkatesan C, Taglialatela M. Epileptic Encephalopathy In A Patient With A Novel Variant In The Kv7.2 S2 Transmembrane Segment: Clinical, Genetic, and Functional Features. Int J Mol Sci. 2019 Jul 10; 20(14).

Chiang HH, Wu DC, Hsu PI, Kuo CH, Tai WC, Yang SC, Wu KL, Yao CC, Tsai CE, Liang CM, Wang YK, Wang JW, Huang CF, Chuah SK. Clinical efficacy of 60-mg dexlansoprazole and 40-mg esomeprazole after 24 weeks for the on-demand treatment of gastroesophageal reflux disease grades A and B: a prospective randomized trial. Drug Des Devel Ther. 2019; 13:1347-1356.

Lee T, Christov PP, Shaw S, Tarr JC, Zhao B, Veerasamy N, Jeon KO, Mills JJ, Bian Z, Sensintaffar JL, Arnold AL, Fogarty SA, Perry E, Ramsey HE, Cook RS, Hollingshead M, Davis Millin M, Lee KM, Koss B, Budhraja A, Opferman JT, Kim K, Arteaga CL, Moore WJ, Olejniczak ET, Savona MR, Fesik SW. Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors That Demonstrate in Vivo Activity in Mouse Xenograft Models of Human Cancer. J Med Chem. 2019 04 25; 62(8):3971-3988.

Tait Wojno ED, Hunter CA, Stumhofer JS. The Immunobiology of the Interleukin-12 Family: Room for Discovery. Immunity. 2019 04 16; 50(4):851-870.

Marecki JC, Aarattuthodiyil S, Byrd AK, Penthala NR, Crooks PA, Raney KD. N-Naphthoyl-substituted indole thio-barbituric acid analogs inhibit the helicase activity of the hepatitis C virus NS3. Bioorg Med Chem Lett. 2019 02 01; 29(3):430-434.

Lee NR, Gujarathi S, Bommagani S, Siripurapu K, Zheng G, Dwoskin LP. Muscarinic agonist, (±)-quinuclidin-3-yl-(4-fluorophenethyl)(phenyl)carbamate: High affinity, but low subtype selectivity for human M1 - M5 muscarinic acetylcholine receptors. Bioorg Med Chem Lett. 2019 02 01; 29(3):471-476.

Chen ZZ, Li SQ, Zhang YJ, Tang DY, Meng JP, Lei J, Li HY, Xu ZG. Synthesis of Pyridodiindoles with Anticancer Activity by a Three-Component Cascade Condensation. Org Lett. 2018 12 21; 20(24):7811-7815.

Bommagani S, Penthala NR, Balasubramaniam M, Kuravi S, Caldas-Lopes E, Guzman ML, Balusu R, Crooks PA. A novel tetrazole analogue of resveratrol is a potent anticancer agent. Bioorg Med Chem Lett. 2019 01 15; 29(2):172-178.

Dix SR, Owen HJ, Sun R, Ahmad A, Shastri S, Spiewak HL, Mosby DJ, Harris MJ, Batters SL, Brooker TA, Tzokov SB, Sedelnikova SE, Baker PJ, Bullough PA, Rice DW, Thomas MS. Structural insights into the function of type VI secretion system TssA subunits. Nat Commun. 2018 11 12; 9(1):4765.

Janganati V, Ponder J, Balasubramaniam M, Bhat-Nakshatri P, Bar EE, Nakshatri H, Jordan CT, Crooks PA. MMB triazole analogs are potent NF-?B inhibitors and anti-cancer agents against both hematological and solid tumor cells. Eur J Med Chem. 2018 Sep 05; 157:562-581.

Barnette DA, Davis MA, Dang NL, Pidugu AS, Hughes T, Swamidass SJ, Boysen G, Miller GP. Lamisil (terbinafine) toxicity: Determining pathways to bioactivation through computational and experimental approaches. Biochem Pharmacol. 2018 10; 156:10-21.

Zakeyah AA, Whitt J, Duke C, Gilmore DF, Meeker DG, Smeltzer MS, Alam MA. Synthesis and antimicrobial studies of hydrazone derivatives of 4-[3-(2,4-difluorophenyl)-4-formyl-1H-pyrazol-1-yl]benzoic acid and 4-[3-(3,4-difluorophenyl)-4-formyl-1H-pyrazol-1-yl]benzoic acid. Bioorg Med Chem Lett. 2018 09 15; 28(17):2914-2919.

Liu X, Wang Y, Zhang X, Gao Z, Zhang S, Shi P, Zhang X, Song L, Hendrickson H, Zhou D, Zheng G. Senolytic activity of piperlongumine analogues: Synthesis and biological evaluation. Bioorg Med Chem. 2018 08 07; 26(14):3925-3938.

He LJ, Yang DL, Li SQ, Zhang YJ, Tang Y, Lei J, Frett B, Lin HK, Li HY, Chen ZZ, Xu ZG. Facile construction of fused benzimidazole-isoquinolinones that induce cell-cycle arrest and apoptosis in colorectal cancer cells. Bioorg Med Chem. 2018 08 07; 26(14):3899-3908.

Leiva R, Phillips MB, Turcu AL, Gratacòs-Batlle E, León-García L, Sureda FX, Soto D, Johnson JW, Vázquez S. Pharmacological and Electrophysiological Characterization of Novel NMDA Receptor Antagonists. ACS Chem Neurosci. 2018 11 21; 9(11):2722-2730.

Slavov SH, Stoyanova-Slavova I, Mattes W, Beger RD, Brüschweiler BJ. Computational identification of structural factors affecting the mutagenic potential of aromatic amines: study design and experimental validation. Arch Toxicol. 2018 07; 92(7):2369-2384.

Gokulan K, Khare S, Cerniglia CE, Foley SL, Varughese KI. Structure and Inhibitor Specificity of L,D-Transpeptidase (LdtMt2) from Mycobacterium tuberculosis and Antibiotic Resistance: Calcium Binding Promotes Dimer Formation. AAPS J. 2018 03 09; 20(2):44.

Rama Krishna B, Thummuri D, Naidu VGM, Ramakrishna S, Venkata Mallavadhani U. Synthesis of some novel orcinol based coumarin triazole hybrids with capabilities to inhibit RANKL-induced osteoclastogenesis through NF-?B signaling pathway. Bioorg Chem. 2018 08; 78:94-102.

Bharate JB, McConnell N, Naresh G, Zhang L, Lakkaniga NR, Ding L, Shah NP, Frett B, Li HY. Rational Design, Synthesis and Biological Evaluation of Pyrimidine-4,6-diamine derivatives as Type-II inhibitors of FLT3 Selective Against c-KIT. Sci Rep. 2018 02 27; 8(1):3722.

Lee NR, Zheng G, Crooks PA, Bardo MT, Dwoskin LP. New Scaffold for Lead Compounds to Treat Methamphetamine Use Disorders. AAPS J. 2018 02 09; 20(2):29.

Jimenez J, Chakraborty I, Dominguez A, Martinez-Gonzalez J, Sameera WMC, Mascharak PK. A Luminescent Manganese PhotoCORM for CO Delivery to Cellular Targets under the Control of Visible Light. Inorg Chem. 2018 Feb 19; 57(4):1766-1773.

Madadi NR, Penthala NR, Ketkar A, Eoff RL, Trujullo-Alonso V, Guzman ML, Crooks PA. Synthesis and Evaluation of 2-Naphthaleno trans-Stilbenes and Cyanostilbenes as Anticancer Agents. Anticancer Agents Med Chem. 2018; 18(4):556-564.

Khan MA, Zafaryab M, Mehdi SH, Ahmad I, Rizvi MMA. Physicochemical Characterization of Curcumin Loaded Chitosan Nanoparticles: Implications in Cervical Cancer. Anticancer Agents Med Chem. 2018; 18(8):1131-1137.

Moon SH, Zhang X, Zheng G, Meeker DG, Smeltzer MS, Huang E. Novel Linear Lipopeptide Paenipeptins with Potential for Eradicating Biofilms and Sensitizing Gram-Negative Bacteria to Rifampicin and Clarithromycin. J Med Chem. 2017 12 14; 60(23):9630-9640.

Chen W, Druzak SA, Wang Y, Josephson CD, Hoffmeister KM, Ware J, Li R. Refrigeration-Induced Binding of von Willebrand Factor Facilitates Fast Clearance of Refrigerated Platelets. Arterioscler Thromb Vasc Biol. 2017 12; 37(12):2271-2279.

Hankosky ER, Joolakanti SR, Nickell JR, Janganati V, Dwoskin LP, Crooks PA. Fluoroethoxy-1,4-diphenethylpiperidine and piperazine derivatives: Potent and selective inhibitors of [3H]dopamine uptake at the vesicular monoamine transporter-2. Bioorg Med Chem Lett. 2017 12 15; 27(24):5467-5472.

Howes TRL, Sallmyr A, Brooks R, Greco GE, Jones DE, Matsumoto Y, Tomkinson AE. Structure-activity relationships among DNA ligase inhibitors: Characterization of a selective uncompetitive DNA ligase I inhibitor. DNA Repair (Amst). 2017 12; 60:29-39.

Stepan AF, Claffey MM, Reese MR, Balan G, Barreiro G, Barricklow J, Bohanon MJ, Boscoe BP, Cappon GD, Chenard LK, Cianfrogna J, Chen L, Coffman KJ, Drozda SE, Dunetz JR, Ghosh S, Hou X, Houle C, Karki K, Lazzaro JT, Mancuso JY, Marcek JM, Miller EL, Moen MA, O'Neil S, Sakurada I, Skaddan M, Parikh V, Smith DL, Trapa P, Tuttle JB, Verhoest PR, Walker DP, Won A, Wright AS, Whritenour J, Zasadny K, Zaleska MM, Zhang L, Shaffer CL. Discovery and Characterization of (R)-6-Neopentyl-2-(pyridin-2-ylmethoxy)-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4(9H)-one (PF-06462894), an Alkyne-Lacking Metabotropic Glutamate Receptor 5 Negative Allosteric Modulator Profiled in both Rat and Nonhuman Primates. J Med Chem. 2017 09 28; 60(18):7764-7780.

Morgan RA, Beck KR, Nixon M, Homer NZM, Crawford AA, Melchers D, Houtman R, Meijer OC, Stomby A, Anderson AJ, Upreti R, Stimson RH, Olsson T, Michoel T, Cohain A, Ruusalepp A, Schadt EE, Björkegren JLM, Andrew R, Kenyon CJ, Hadoke PWF, Odermatt A, Keen JA, Walker BR. Carbonyl reductase 1 catalyzes 20ß-reduction of glucocorticoids, modulating receptor activation and metabolic complications of obesity. Sci Rep. 2017 09 06; 7(1):10633.

Barnette DA, Johnson BP, Pouncey DL, Nshimiyimana R, Desrochers LP, Goodwin TE, Miller GP. Stereospecific Metabolism of R- and S-Warfarin by Human Hepatic Cytosolic Reductases. Drug Metab Dispos. 2017 09; 45(9):1000-1007.

Bae N, Viviano M, Su X, Lv J, Cheng D, Sagum C, Castellano S, Bai X, Johnson C, Khalil MI, Shen J, Chen K, Li H, Sbardella G, Bedford MT. Developing Spindlin1 small-molecule inhibitors by using protein microarrays. Nat Chem Biol. 2017 Jul; 13(7):750-756.

Bommagani S, Ponder J, Penthala NR, Janganati V, Jordan CT, Borrelli MJ, Crooks PA. Indole carboxylic acid esters of melampomagnolide B are potent anticancer agents against both hematological and solid tumor cells. Eur J Med Chem. 2017 Aug 18; 136:393-405.

Urbaniak A, Delgado M, Kacprzak K, Chambers TC. Activity of resveratrol triesters against primary acute lymphoblastic leukemia cells. Bioorg Med Chem Lett. 2017 06 15; 27(12):2766-2770.

Koyama M, Shirahata T, Hirashima R, Kobayashi Y, Itoh T, Fujiwara R. Inhibition of UDP-glucuronosyltransferase (UGT)-mediated glycyrrhetinic acid 3-O-glucuronidation by polyphenols and triterpenoids. Drug Metab Pharmacokinet. 2017 Aug; 32(4):218-223.

Xiao H, Qi R, Li T, Awuah SG, Zheng Y, Wei W, Kang X, Song H, Wang Y, Yu Y, Bird MA, Jing X, Yaffe MB, Birrer MJ, Ghoroghchian PP. Maximizing Synergistic Activity When Combining RNAi and Platinum-Based Anticancer Agents. J Am Chem Soc. 2017 03 01; 139(8):3033-3044.

Chakraborty I, Carrington SJ, Roseman G, Mascharak PK. Synthesis, Structures, and CO Release Capacity of a Family of Water-Soluble PhotoCORMs: Assessment of the Biocompatibility and Their Phototoxicity toward Human Breast Cancer Cells. Inorg Chem. 2017 Feb 06; 56(3):1534-1545.

Albayati ZAF, Janganati V, Chen Z, Ponder J, Breen PJ, Jordan CT, Crooks PA. Identification of a melampomagnolide B analog as a potential lead molecule for treatment of acute myelogenous leukemia. Bioorg Med Chem. 2017 02 01; 25(3):1235-1241.

Yadav S, Storrie B. The cellular basis of platelet secretion: Emerging structure/function relationships. Platelets. 2017 Mar; 28(2):108-118.

Xi JB, Fang YF, Frett B, Zhu ML, Zhu T, Kong YN, Guan FJ, Zhao Y, Zhang XW, Li HY, Ma ML, Hu W. Structure-based design and synthesis of imidazo[1,2-a]pyridine derivatives as novel and potent Nek2 inhibitors with in vitro and in vivo antitumor activities. Eur J Med Chem. 2017 Jan 27; 126:1083-1106.

Penthala NR, Janganati V, Alpe TL, Apana SM, Berridge MS, Crooks PA, Borrelli MJ. N-[11CH3]Dimethylaminoparthenolide (DMAPT) uptake into orthotopic 9LSF glioblastoma tumors in the rat. Bioorg Med Chem Lett. 2016 12 15; 26(24):5883-5886.

Slavov SH, Beger RD. Rigorous 3-dimensional spectral data activity relationship approach modeling strategy for ToxCast estrogen receptor data classification, validation, and feature extraction. Environ Toxicol Chem. 2017 03; 36(3):823-830.

Majeed W, Bourdo S, Petibone DM, Saini V, Vang KB, Nima ZA, Alghazali KM, Darrigues E, Ghosh A, Watanabe F, Casciano D, Ali SF, Biris AS. The role of surface chemistry in the cytotoxicity profile of graphene. J Appl Toxicol. 2017 04; 37(4):462-470.

Ronis M. Preface to DMR special edition "cytochrome P450: new horizons". Drug Metab Rev. 2016 08; 48(3):329-30.

Koziol-White CJ, Yoo EJ, Cao G, Zhang J, Papanikolaou E, Pushkarsky I, Andrews A, Himes BE, Damoiseaux RD, Liggett SB, Di Carlo D, Kurten RC, Panettieri RA. Inhibition of PI3K promotes dilation of human small airways in a rho kinase-dependent manner. Br J Pharmacol. 2016 09; 173(18):2726-38.

Senwar KR, Reddy TS, Thummuri D, Sharma P, Bharghava SK, Naidu VG, Shankaraiah N. Design and synthesis of 4'-O-alkylamino-tethered-benzylideneindolin-2-ones as potent cytotoxic and apoptosis inducing agents. Bioorg Med Chem Lett. 2016 08 15; 26(16):4061-9.

Nickell JR, Culver JP, Janganati V, Zheng G, Dwoskin LP, Crooks PA. 1,4-Diphenalkylpiperidines: A new scaffold for the design of potent inhibitors of the vesicular monoamine transporter-2. Bioorg Med Chem Lett. 2016 07 01; 26(13):2997-3000.

Joolakanti SR, Nickell JR, Janganati V, Zheng G, Dwoskin LP, Crooks PA. Lobelane analogues containing 4-hydroxy and 4-(2-fluoroethoxy) aromatic substituents: Potent and selective inhibitors of [(3)H]dopamine uptake at the vesicular monoamine transporter-2. Bioorg Med Chem Lett. 2016 05 15; 26(10):2422-2427.

Giebel NL, Shadley JD, McCarver DG, Dorko K, Gramignoli R, Strom SC, Yan K, Simpson PM, Hines RN. Role of Chromatin Structural Changes in Regulating Human CYP3A Ontogeny. Drug Metab Dispos. 2016 07; 44(7):1027-37.

van der Watt PJ, Chi A, Stelma T, Stowell C, Strydom E, Carden S, Angus L, Hadley K, Lang D, Wei W, Birrer MJ, Trent JO, Leaner VD. Targeting the Nuclear Import Receptor Kpnß1 as an Anticancer Therapeutic. . 2016 04; 15(4):560-73.

Liang X, Syed AK, Russell SR, Ware J, Li R. Dimerization of glycoprotein Iba is not sufficient to induce platelet clearance. J Thromb Haemost. 2016 Feb; 14(2):381-6.

Bostian AC, Maddukuri L, Reed MR, Savenka T, Hartman JH, Davis L, Pouncey DL, Miller GP, Eoff RL. Kynurenine Signaling Increases DNA Polymerase Kappa Expression and Promotes Genomic Instability in Glioblastoma Cells. Chem Res Toxicol. 2016 Jan 19; 29(1):101-8.

Thakkar S, Wang X, Khaidakov M, Dai Y, Gokulan K, Mehta JL, Varughese KI. Structure-based Design Targeted at LOX-1, a Receptor for Oxidized Low-Density Lipoprotein. Sci Rep. 2015 Nov 18; 5:16740.

Janganati V, Ponder J, Jordan CT, Borrelli MJ, Penthala NR, Crooks PA. Dimers of Melampomagnolide B Exhibit Potent Anticancer Activity against Hematological and Solid Tumor Cells. J Med Chem. 2015 Nov 25; 58(22):8896-906.

Madadi NR, Penthala NR, Howk K, Ketkar A, Eoff RL, Borrelli MJ, Crooks PA. Synthesis and biological evaluation of novel 4,5-disubstituted 2H-1,2,3-triazoles as cis-constrained analogues of combretastatin A-4. Eur J Med Chem. 2015 Oct 20; 103:123-32.

Kamal A, Sathish M, Nayak VL, Srinivasulu V, Kavitha B, Tangella Y, Thummuri D, Bagul C, Shankaraiah N, Nagesh N. Design and synthesis of dithiocarbamate linked ß-carboline derivatives: DNA topoisomerase II inhibition with DNA binding and apoptosis inducing ability. Bioorg Med Chem. 2015 Sep 01; 23(17):5511-26.

Jeong SA, Kim K, Lee JH, Cha JS, Khadka P, Cho HS, Chung IK. Akt-mediated phosphorylation increases the binding affinity of hTERT for importin a to promote nuclear translocation. J Cell Sci. 2015 Jun 15; 128(12):2287-301.

Ding D, Nickell JR, Dwoskin LP, Crooks PA. Quinolyl analogues of norlobelane: novel potent inhibitors of [(3)H]dihydrotetrabenazine binding and [(3)H]dopamine uptake at the vesicular monoamine transporter-2. Bioorg Med Chem Lett. 2015 Jul 01; 25(13):2613-6.

McCoin CS, Knotts TA, Ono-Moore KD, Oort PJ, Adams SH. Long-chain acylcarnitines activate cell stress and myokine release in C2C12 myotubes: calcium-dependent and -independent effects. Am J Physiol Endocrinol Metab. 2015 Jun 01; 308(11):E990-E1000.

Franco FM, Jones DE, Harris PK, Han Z, Wildman SA, Jarvis CM, Janetka JW. Structure-based discovery of small molecule hepsin and HGFA protease inhibitors: Evaluation of potency and selectivity derived from distinct binding pockets. Bioorg Med Chem. 2015 May 15; 23(10):2328-43.

Zhang X, Kong Y, Zhang J, Su M, Zhou Y, Zang Y, Li J, Chen Y, Fang Y, Zhang X, Lu W. Design, synthesis and biological evaluation of colchicine derivatives as novel tubulin and histone deacetylase dual inhibitors. Eur J Med Chem. 2015 May 05; 95:127-35.

Penthala NR, Zong H, Ketkar A, Madadi NR, Janganati V, Eoff RL, Guzman ML, Crooks PA. Synthesis, anticancer activity and molecular docking studies on a series of heterocyclic trans-cyanocombretastatin analogues as antitubulin agents. Eur J Med Chem. 2015 Mar 06; 92:212-20.

Levy JW, Hartman JH, Perry MD, Miller GP. Structural basis for cooperative binding of azoles to CYP2E1 as interpreted through guided molecular dynamics simulations. J Mol Graph Model. 2015 Mar; 56:43-52.

Frett B, Moccia M, Carlomagno F, Santoro M, Li HY. Identification of two novel RET kinase inhibitors through MCR-based drug discovery: design, synthesis and evaluation. Eur J Med Chem. 2014 Oct 30; 86:714-23.

Kumar V, Chatterjee A, Kumar N, Ganguly A, Chakraborty I, Banerjee M. D-glucose derived novel gemini surfactants: synthesis and study of their surface properties, interaction with DNA, and cytotoxicity. Carbohydr Res. 2014 Oct 09; 397:37-45.

Penthala NR, Bommagani S, Janganati V, MacNicol KB, Cragle CE, Madadi NR, Hardy LL, MacNicol AM, Crooks PA. Heck products of parthenolide and melampomagnolide-B as anticancer modulators that modify cell cycle progression. Eur J Med Chem. 2014 Oct 06; 85:517-25.

Gillerman I, Lecka J, Simhaev L, Munkonda MN, Fausther M, Martín-Satué M, Senderowitz H, Sévigny J, Fischer B. 2-Hexylthio-ß,?-CH2-ATP is an effective and selective NTPDase2 inhibitor. J Med Chem. 2014 Jul 24; 57(14):5919-34.

Janganati V, Penthala NR, Madadi NR, Chen Z, Crooks PA. Anti-cancer activity of carbamate derivatives of melampomagnolide B. Bioorg Med Chem Lett. 2014 Aug 01; 24(15):3499-502.

Kendrick S, Kang HJ, Alam MP, Madathil MM, Agrawal P, Gokhale V, Yang D, Hecht SM, Hurley LH. The dynamic character of the BCL2 promoter i-motif provides a mechanism for modulation of gene expression by compounds that bind selectively to the alternative DNA hairpin structure. J Am Chem Soc. 2014 Mar 19; 136(11):4161-71.

Zhang L, Balan G, Barreiro G, Boscoe BP, Chenard LK, Cianfrogna J, Claffey MM, Chen L, Coffman KJ, Drozda SE, Dunetz JR, Fonseca KR, Galatsis P, Grimwood S, Lazzaro JT, Mancuso JY, Miller EL, Reese MR, Rogers BN, Sakurada I, Skaddan M, Smith DL, Stepan AF, Trapa P, Tuttle JB, Verhoest PR, Walker DP, Wright AS, Zaleska MM, Zasadny K, Shaffer CL. Discovery and preclinical characterization of 1-methyl-3-(4-methylpyridin-3-yl)-6-(pyridin-2-ylmethoxy)-1H-pyrazolo-[3,4-b]pyrazine (PF470): a highly potent, selective, and efficacious metabotropic glutamate receptor 5 (mGluR5) negative allosteric modulator. J Med Chem. 2014 Feb 13; 57(3):861-77.

Thakkar S, Nanaware-Kharade N, Celikel R, Peterson EC, Varughese KI. Affinity improvement of a therapeutic antibody to methamphetamine and amphetamine through structure-based antibody engineering. Sci Rep. 2014 Jan 14; 4:3673.

Majumdar KC, Ponra S, Ghosh T, Sadhukhan R, Ghosh U. Synthesis of novel pyrano[3,2-f]quinoline, phenanthroline derivatives and studies of their interactions with proteins: an application in mammalian cell imaging. Eur J Med Chem. 2014 Jan; 71:306-15.

Zhang X, Bao B, Yu X, Tong L, Luo Y, Huang Q, Su M, Sheng L, Li J, Zhu H, Yang B, Zhang X, Chen Y, Lu W. The discovery and optimization of novel dual inhibitors of topoisomerase II and histone deacetylase. Bioorg Med Chem. 2013 Nov 15; 21(22):6981-95.

Han L, Campanucci VA, Cooke J, Salter MW. Identification of a single amino acid in GluN1 that is critical for glycine-primed internalization of NMDA receptors. Mol Brain. 2013 Aug 13; 6:36.

Coggins GE, Maddukuri L, Penthala NR, Hartman JH, Eddy S, Ketkar A, Crooks PA, Eoff RL. N-Aroyl indole thiobarbituric acids as inhibitors of DNA repair and replication stress response polymerases. ACS Chem Biol. 2013 Aug 16; 8(8):1722-9.

Vasiljevik T, Franks LN, Ford BM, Douglas JT, Prather PL, Fantegrossi WE, Prisinzano TE. Design, synthesis, and biological evaluation of aminoalkylindole derivatives as cannabinoid receptor ligands with potential for treatment of alcohol abuse. J Med Chem. 2013 Jun 13; 56(11):4537-50.

Bharate SB, Bharate JB, Khan SI, Tekwani BL, Jacob MR, Mudududdla R, Yadav RR, Singh B, Sharma PR, Maity S, Singh B, Khan IA, Vishwakarma RA. Discovery of 3,3'-diindolylmethanes as potent antileishmanial agents. Eur J Med Chem. 2013 May; 63:435-43.

Zheng G, Smith AM, Huang X, Subramanian KL, Siripurapu KB, Deaciuc A, Zhan CG, Dwoskin LP. Structural modifications to tetrahydropyridine-3-carboxylate esters en route to the discovery of M5-preferring muscarinic receptor orthosteric antagonists. J Med Chem. 2013 Feb 28; 56(4):1693-703.

Cheng X, Veverka V, Radhakrishnan A, Waters LC, Muskett FW, Morgan SH, Huo J, Yu C, Evans EJ, Leslie AJ, Griffiths M, Stubberfield C, Griffin R, Henry AJ, Jansson A, Ladbury JE, Ikemizu S, Carr MD, Davis SJ. Structure and interactions of the human programmed cell death 1 receptor. J Biol Chem. 2013 Apr 26; 288(17):11771-85.

Ivakine EA, Acton BA, Mahadevan V, Ormond J, Tang M, Pressey JC, Huang MY, Ng D, Delpire E, Salter MW, Woodin MA, McInnes RR. Neto2 is a KCC2 interacting protein required for neuronal Cl- regulation in hippocampal neurons. Proc Natl Acad Sci U S A. 2013 Feb 26; 110(9):3561-6.

Walker DP, Arhancet GB, Lu HF, Heasley SE, Metz S, Kablaoui NM, Franco FM, Hanau CE, Scholten JA, Springer JR, Fobian YM, Carter JS, Xing L, Yang S, Shaffer AF, Jerome GM, Baratta MT, Moore WM, Vazquez ML. Synthesis and biological evaluation of substituted benzoxazoles as inhibitors of mPGES-1: use of a conformation-based hypothesis to facilitate compound design. Bioorg Med Chem Lett. 2013 Feb 15; 23(4):1120-6.

Patil NK, Saba H, MacMillan-Crow LA. Effect of S-nitrosoglutathione on renal mitochondrial function: a new mechanism for reversible regulation of manganese superoxide dismutase activity? Free Radic Biol Med. 2013 Mar; 56:54-63.

Dings RP, Kumar N, Miller MC, Loren M, Rangwala H, Hoye TR, Mayo KH. Structure-based optimization of angiostatic agent 6DBF7, an allosteric antagonist of galectin-1. J Pharmacol Exp Ther. 2013 Mar; 344(3):589-99.

Arhancet GB, Walker DP, Metz S, Fobian YM, Heasley SE, Carter JS, Springer JR, Jones DE, Hayes MJ, Shaffer AF, Jerome GM, Baratta MT, Zweifel B, Moore WM, Masferrer JL, Vazquez ML. Discovery and SAR of PF-4693627, a potent, selective and orally bioavailable mPGES-1 inhibitor for the potential treatment of inflammation. Bioorg Med Chem Lett. 2013 Feb 15; 23(4):1114-9.

Bhattacharya SK, Aspnes GE, Bagley SW, Boehm M, Brosius AD, Buckbinder L, Chang JS, Dibrino J, Eng H, Frederick KS, Griffith DA, Griffor MC, Guimarães CR, Guzman-Perez A, Han S, Kalgutkar AS, Klug-McLeod J, Garcia-Irizarry C, Li J, Lippa B, Price DA, Southers JA, Walker DP, Wei L, Xiao J, Zawistoski MP, Zhao X. Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors. Bioorg Med Chem Lett. 2012 Dec 15; 22(24):7523-9.

Cohen NA, Stewart ML, Gavathiotis E, Tepper JL, Bruekner SR, Koss B, Opferman JT, Walensky LD. A competitive stapled peptide screen identifies a selective small molecule that overcomes MCL-1-dependent leukemia cell survival. Chem Biol. 2012 Sep 21; 19(9):1175-86.

Heuck CJ, Shaughnessy JD. Proteasome inhibitors: introduction. Semin Hematol. 2012 Jul; 49(3):193-5.

McPhail B, Tie Y, Hong H, Pearce BA, Schnackenberg LK, Ge W, Valerio LG, Fuscoe JC, Tong W, Buzatu DA, Wilkes JG, Fowler BA, Demchuk E, Beger RD. Modeling chemical interaction profiles: I. Spectral data-activity relationship and structure-activity relationship models for inhibitors and non-inhibitors of cytochrome P450 CYP3A4 and CYP2D6 isozymes. Molecules. 2012 Mar 15; 17(3):3383-406.

Tie Y, McPhail B, Hong H, Pearce BA, Schnackenberg LK, Ge W, Buzatu DA, Wilkes JG, Fuscoe JC, Tong W, Fowler BA, Beger RD, Demchuk E. Modeling chemical interaction profiles: II. Molecular docking, spectral data-activity relationship, and structure-activity relationship models for potent and weak inhibitors of cytochrome P450 CYP3A4 isozyme. Molecules. 2012 Mar 15; 17(3):3407-60.

Chung J, Khadka P, Chung IK. Nuclear import of hTERT requires a bipartite nuclear localization signal and Akt-mediated phosphorylation. J Cell Sci. 2012 Jun 01; 125(Pt 11):2684-97.

Thompson MJ, Louth JC, Little SM, Jackson MP, Boursereau Y, Chen B, Coldham I. Synthesis and evaluation of 1-amino-6-halo-ß-carbolines as antimalarial and antiprion agents. ChemMedChem. 2012 Apr; 7(4):578-86.

Béguin C, Potuzak J, Xu W, Liu-Chen LY, Streicher JM, Groer CE, Bohn LM, Carlezon WA, Cohen BM. Differential signaling properties at the kappa opioid receptor of 12-epi-salvinorin A and its analogues. Bioorg Med Chem Lett. 2012 Jan 15; 22(2):1023-6.

Xie C, Kang J, Li Z, Schauss AG, Badger TM, Nagarajan S, Wu T, Wu X. The açaí flavonoid velutin is a potent anti-inflammatory agent: blockade of LPS-mediated TNF-a and IL-6 production through inhibiting NF-?B activation and MAPK pathway. J Nutr Biochem. 2012 Sep; 23(9):1184-91.

Estabrook NC, Chin-Sinex H, Borgmann AJ, Dhaemers RM, Shapiro RH, Gilley D, Huda N, Crooks P, Sweeney C, Mendonca MS. Inhibition of NF-?B and DNA double-strand break repair by DMAPT sensitizes non-small-cell lung cancers to X-rays. Free Radic Biol Med. 2011 Dec 15; 51(12):2249-58.

Horton DB, Siripurapu KB, Zheng G, Crooks PA, Dwoskin LP. Novel N-1,2-dihydroxypropyl analogs of lobelane inhibit vesicular monoamine transporter-2 function and methamphetamine-evoked dopamine release. J Pharmacol Exp Ther. 2011 Oct; 339(1):286-97.

Bruno RD, Vasaitis TS, Gediya LK, Purushottamachar P, Godbole AM, Ates-Alagoz Z, Brodie AM, Njar VC. Synthesis and biological evaluations of putative metabolically stable analogs of VN/124-1 (TOK-001): head to head anti-tumor efficacy evaluation of VN/124-1 (TOK-001) and abiraterone in LAPC-4 human prostate cancer xenograft model. Steroids. 2011 Nov; 76(12):1268-79.

Nasim S, Guzman ML, Jordan CT, Crooks PA. Discovery of 1,2,4-thiadiazolidine-3,5-dione analogs that exhibit unusual and selective rapid cell death kinetics against acute myelogenous leukemia cells in culture. Bioorg Med Chem Lett. 2011 Aug 15; 21(16):4879-83.

Singodia D, Verma A, Khare P, Dube A, Mitra K, Mishra PR. Investigations on feasibility of in situ development of amphotericin B liposomes for industrial applications. J Liposome Res. 2012 Mar; 22(1):8-17.

Thompson MJ, Louth JC, Ferrara S, Jackson MP, Sorrell FJ, Cochrane EJ, Gever J, Baxendale S, Silber BM, Roehl HH, Chen B. Discovery of 6-substituted indole-3-glyoxylamides as lead antiprion agents with enhanced cell line activity, improved microsomal stability and low toxicity. Eur J Med Chem. 2011 Sep; 46(9):4125-32.

Han Q, Aligo J, Manna D, Belton K, Chintapalli SV, Hong Y, Patterson RL, van Rossum DB, Konan KV. Conserved GXXXG- and S/T-like motifs in the transmembrane domains of NS4B protein are required for hepatitis C virus replication. J Virol. 2011 Jul; 85(13):6464-79.

Romo TD, Bradney LA, Greathouse DV, Grossfield A. Membrane binding of an acyl-lactoferricin B antimicrobial peptide from solid-state NMR experiments and molecular dynamics simulations. Biochim Biophys Acta. 2011 Aug; 1808(8):2019-30.

Zheng G, Zhang Z, Dowell C, Wala E, Dwoskin LP, Holtman JR, McIntosh JM, Crooks PA. Discovery of non-peptide, small molecule antagonists of a9a10 nicotinic acetylcholine receptors as novel analgesics for the treatment of neuropathic and tonic inflammatory pain. Bioorg Med Chem Lett. 2011 Apr 15; 21(8):2476-9.