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Article ; Online: Targeting Cancer Metabolism as a Novel Anticancer Strategy.

Sharma, Horrick

2018 Volume 18, Issue 6, Page(s) 429–431

MeSH term(s)	Antineoplastic Agents/therapeutic use ; Energy Metabolism ; Glycolysis ; Humans ; Neoplasms/drug therapy ; Neoplasms/metabolism ; Neoplasms/pathology ; Oxidative Phosphorylation ; Tumor Microenvironment
Chemical Substances	Antineoplastic Agents
Language	English
Publishing date	2018-07-11
Publishing country	United Arab Emirates
Document type	Editorial
ZDB-ID	2064823-6
ISSN	1873-4294 ; 1568-0266
ISSN (online)	1873-4294
ISSN	1568-0266
DOI	10.2174/156802661806180628151408
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Article ; Online: Development of Novel Therapeutics Targeting Isocitrate Dehydrogenase Mutations in Cancer.

Sharma, Horrick

Current topics in medicinal chemistry

2018 Volume 18, Issue 6, Page(s) 505–524

Abstract: Isocitrate dehydrogenases 1 and 2 (IDH1 and IDH2) are key metabolic enzymes that catalyze the conversion of isocitrate to α-ketoglutarate (αKG). IDH1 and IDH2 regulate several cellular processes, including oxidative respiration, glutamine metabolism, ... ...

Abstract	Isocitrate dehydrogenases 1 and 2 (IDH1 and IDH2) are key metabolic enzymes that catalyze the conversion of isocitrate to α-ketoglutarate (αKG). IDH1 and IDH2 regulate several cellular processes, including oxidative respiration, glutamine metabolism, lipogenesis, and cellular defense against oxidative damage. Mutations in IDH1 and IDH2 have recently been observed in multiple tumors, including gliomas, acute myeloid leukemia, myelodysplastic syndromes, and chondrosarcoma. IDH1 and IDH2 mutations involve a gain in neomorphic activity that catalyzes αKG conversion to (R)-2- hydroxyglutarate ((R)-2HG). IDH mutation-mediated accumulation of (R)-2HG results in epigenetic dysregulation, altered gene expression, and a block in cellular differentiation. Targeting mutant IDH by development of small molecule inhibitors is a rapidly emerging therapeutic approach as evidenced by the recent approval of the first selective mutant IDH2 inhibitor AG-221 (enasidenib) for the treatment of IDH2-mutated AML. This review will focus on mutant isocitrate dehydrogenase as a therapeutic drug target and provides an update on selective and pan-mutant IDH1/2 inhibitors in clinical trials and other mutant IDH inhibitors that are under development.
MeSH term(s)	Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/chemistry ; Antineoplastic Agents/pharmacology ; Biocatalysis/drug effects ; Enzyme Inhibitors/chemical synthesis ; Enzyme Inhibitors/chemistry ; Enzyme Inhibitors/pharmacology ; Humans ; Isocitrate Dehydrogenase/antagonists & inhibitors ; Isocitrate Dehydrogenase/genetics ; Isocitrate Dehydrogenase/metabolism ; Molecular Structure ; Mutant Proteins/antagonists & inhibitors ; Mutant Proteins/genetics ; Mutant Proteins/metabolism ; Mutation ; Neoplasms/drug therapy ; Neoplasms/enzymology ; Neoplasms/pathology
Chemical Substances	Antineoplastic Agents ; Enzyme Inhibitors ; Mutant Proteins ; IDH2 protein, human (EC 1.1.1.41) ; Isocitrate Dehydrogenase (EC 1.1.1.41) ; IDH1 protein, human (EC 1.1.1.42.)
Language	English
Publishing date	2018-07-24
Publishing country	United Arab Emirates
Document type	Journal Article ; Review
ZDB-ID	2064823-6
ISSN	1873-4294 ; 1568-0266
ISSN (online)	1873-4294
ISSN	1568-0266
DOI	10.2174/1568026618666180518091144
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Article ; Online: Functionalized Graphene Oxide for Chemotherapeutic Drug Delivery and Cancer Treatment

Horrick Sharma / Somrita Mondal

International Journal of Molecular Sciences, Vol 21, Iss 6280, p

A Promising Material in Nanomedicine

2020 Volume 6280

Abstract: The usage of nanomaterials for cancer treatment has been a popular research focus over the past decade. Nanomaterials, including polymeric nanomaterials, metal nanoparticles, semiconductor quantum dots, and carbon-based nanomaterials such as graphene ... ...

Abstract	The usage of nanomaterials for cancer treatment has been a popular research focus over the past decade. Nanomaterials, including polymeric nanomaterials, metal nanoparticles, semiconductor quantum dots, and carbon-based nanomaterials such as graphene oxide (GO), have been used for cancer cell imaging, chemotherapeutic drug targeting, chemotherapy, photothermal therapy, and photodynamic therapy. In this review, we discuss the concept of targeted nanoparticles in cancer therapy and summarize the in vivo biocompatibility of graphene-based nanomaterials. Specifically, we discuss in detail the chemistry and properties of GO and provide a comprehensive review of functionalized GO and GO–metal nanoparticle composites in nanomedicine involving anticancer drug delivery and cancer treatment.
Keywords	nanoparticles ; graphene oxide ; GO–metal nanoparticles ; targeted drug delivery system ; cancer therapy ; nanomedicine ; Biology (General) ; QH301-705.5 ; Chemistry ; QD1-999
Subject code	610
Language	English
Publishing date	2020-08-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
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Article ; Online: Exploration of a Large Virtual Chemical Space: Identification of Potent Inhibitors of Lactate Dehydrogenase-A against Pancreatic Cancer.

Sharma, Horrick / Sharma, Pragya / Urquiza, Uzziah / Chastain, Lerin R / Ihnat, Michael A

Journal of chemical information and modeling

2023 Volume 63, Issue 3, Page(s) 1028–1043

Abstract: It is imperative to explore the gigantic available chemical space to identify new scaffolds for drug lead discovery. Identifying potent hits from virtual screening of large chemical databases is challenging and computationally demanding. Rather than the ... ...

Abstract	It is imperative to explore the gigantic available chemical space to identify new scaffolds for drug lead discovery. Identifying potent hits from virtual screening of large chemical databases is challenging and computationally demanding. Rather than the traditional two-dimensional (2D)/three-dimensional (3D) approaches on smaller chemical libraries of a few hundred thousand compounds, we screened a ZINC library of 15 million compounds using multiple computational methods. Here, we present the successful application of a virtual screening methodology that identifies several chemotypes as starting hits against lactate dehydrogenase-A (LDHA). From 29 compounds identified from virtual screening, 17 (58%) showed IC
MeSH term(s)	Humans ; Molecular Docking Simulation ; Lactate Dehydrogenase 5 ; Molecular Dynamics Simulation ; Small Molecule Libraries/pharmacology ; Small Molecule Libraries/chemistry ; Pancreatic Neoplasms/drug therapy
Chemical Substances	Lactate Dehydrogenase 5 (EC 1.1.1.27.-) ; Small Molecule Libraries
Language	English
Publishing date	2023-01-16
Publishing country	United States
Document type	Journal Article ; Research Support, N.I.H., Extramural
ZDB-ID	190019-5
ISSN	1549-960X ; 0095-2338
ISSN (online)	1549-960X
ISSN	0095-2338
DOI	10.1021/acs.jcim.2c01544
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Zs.A 1230: Show issues

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Article ; Online: Functionalized Graphene Oxide for Chemotherapeutic Drug Delivery and Cancer Treatment: A Promising Material in Nanomedicine.

Sharma, Horrick / Mondal, Somrita

International journal of molecular sciences

2020 Volume 21, Issue 17

Abstract	The usage of nanomaterials for cancer treatment has been a popular research focus over the past decade. Nanomaterials, including polymeric nanomaterials, metal nanoparticles, semiconductor quantum dots, and carbon-based nanomaterials such as graphene oxide (GO), have been used for cancer cell imaging, chemotherapeutic drug targeting, chemotherapy, photothermal therapy, and photodynamic therapy. In this review, we discuss the concept of targeted nanoparticles in cancer therapy and summarize the in vivo biocompatibility of graphene-based nanomaterials. Specifically, we discuss in detail the chemistry and properties of GO and provide a comprehensive review of functionalized GO and GO-metal nanoparticle composites in nanomedicine involving anticancer drug delivery and cancer treatment.
MeSH term(s)	Antineoplastic Agents/chemistry ; Antineoplastic Agents/therapeutic use ; Drug Delivery Systems ; Graphite/chemistry ; Humans ; Metal Nanoparticles/chemistry ; Nanomedicine ; Neoplasms/drug therapy
Chemical Substances	Antineoplastic Agents ; graphene oxide ; Graphite (7782-42-5)
Language	English
Publishing date	2020-08-30
Publishing country	Switzerland
Document type	Journal Article ; Review
ZDB-ID	2019364-6
ISSN	1422-0067 ; 1422-0067 ; 1661-6596
ISSN (online)	1422-0067
ISSN	1422-0067 ; 1661-6596
DOI	10.3390/ijms21176280
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Article ; Online: New NSAID Conjugates as Potent and Selective COX-2 Inhibitors: Synthesis, Molecular Modeling and Biological Investigation.

Bokhtia, Riham M / Panda, Siva S / Girgis, Adel S / Samir, Nermin / Said, Mona F / Abdelnaser, Anwar / Nasr, Soad / Bekheit, Mohamed S / Dawood, Abdelhameed S / Sharma, Horrick / Wade, Margaret / Sharma, Swapnil K / Ghanim, Amany M

Molecules (Basel, Switzerland)

2023 Volume 28, Issue 4

Abstract: New sets of ibuprofen and indomethacin conjugates comprising triazolyl heterocycle were synthesized via click chemistry, adopting an optimized protocol through the molecular hybridization approach affording the targeted agents in good yields. The new non- ...

Abstract	New sets of ibuprofen and indomethacin conjugates comprising triazolyl heterocycle were synthesized via click chemistry, adopting an optimized protocol through the molecular hybridization approach affording the targeted agents in good yields. The new non-steroidal anti-inflammatory drug (NSAID) conjugates were designed and synthesized and could be considered as potential drug candidates for the treatment of pain and inflammation. The anti-inflammatory properties were investigated for all the synthesized conjugates. Among 14 synthesized conjugates, four (
MeSH term(s)	Rats ; Animals ; Cyclooxygenase 2 Inhibitors/pharmacology ; Ibuprofen/therapeutic use ; Structure-Activity Relationship ; Anti-Inflammatory Agents, Non-Steroidal/chemistry ; Anti-Inflammatory Agents/pharmacology ; Indomethacin/pharmacology ; Carrageenan/adverse effects ; Cyclooxygenase 2/metabolism ; Edema/drug therapy ; Molecular Docking Simulation
Chemical Substances	Cyclooxygenase 2 Inhibitors ; Ibuprofen (WK2XYI10QM) ; Anti-Inflammatory Agents, Non-Steroidal ; Anti-Inflammatory Agents ; Indomethacin (XXE1CET956) ; Carrageenan (9000-07-1) ; Cyclooxygenase 2 (EC 1.14.99.1)
Language	English
Publishing date	2023-02-17
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	1413402-0
ISSN	1420-3049 ; 1431-5165 ; 1420-3049
ISSN (online)	1420-3049
ISSN	1431-5165 ; 1420-3049
DOI	10.3390/molecules28041945
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Article ; Online: Bivalent dopamine agonists with co-operative binding and functional activities at dopamine D2 receptors, modulate aggregation and toxicity of alpha synuclein protein.

Dinda, Bidyut / Das, Banibrata / Biswas, Swati / Sharma, Horrick / Armstrong, Christopher / Yedlapudi, Deepthi / Antonio, Tamara / Reith, Maarten / Dutta, Aloke K

Bioorganic & medicinal chemistry

2022 Volume 78, Page(s) 117131

Abstract: To follow up on our previous report on bivalent compounds exhibiting potent co-operative binding at dopamine D2 receptors, we modified the structure of the linker in our earlier bivalent molecules (S)-6-((9-(((R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2- ... ...

Abstract	To follow up on our previous report on bivalent compounds exhibiting potent co-operative binding at dopamine D2 receptors, we modified the structure of the linker in our earlier bivalent molecules (S)-6-((9-(((R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)(propyl)amino)nonyl)-(propyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol (Ia) and (S)-6-((10-(((R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)(propyl)amino)decyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol (Ib) (Fig. 1) connecting the two pharmaophoric moieties to observe any tolerance in maintaining similar affinities and potencies. Specifically, we introduced aromatic and piperazine moieties in the linker to explore their effect. Overall, similar activities at D2 receptors as observed in our earlier study was maintained in the new molecules e.g. (6S,6'S)-6,6'-((1,4-phenylenebis(ethane-2,1-diyl))bis(propylazanediyl))bis(5,6,7,8-tetrahydronaphthalen-1-ol) (D-382) (Ki, D2 = 3.88 nM). The aromatic moiety in D-382 was next functionalized by introducing hydroxyl groups to mimic polyhydroxy natural products which are known to interact with amyloidogenic proteins. Such a transformation resulted in development of compounds like 2,5-bis(2-(((S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)(propyl)amino)ethyl)benzene-1,4-diol (D-666) (Ki, D2 = 7.62 nM) which retained similar affinity and potency at D2 receptors. Such dihydroxyl compounds turned out to be potent inhibitors against aggregation and toxicity of recombinant alpha synuclein protein. The work reported here is in line with our overall goal to develop multifunctional dopamine agonist for symptomatic and disease modifying treatment of Parkinson's disease.
MeSH term(s)	alpha-Synuclein ; Dopamine Agonists/pharmacology ; Dopamine Agonists/chemistry ; Piperazines/pharmacology ; Receptors, Dopamine D1 ; Receptors, Dopamine D2/metabolism ; Receptors, Dopamine D3/agonists
Chemical Substances	alpha-Synuclein ; Dopamine Agonists ; Piperazines ; Receptors, Dopamine D1 ; Receptors, Dopamine D2 ; Receptors, Dopamine D3 ; D-382
Language	English
Publishing date	2022-12-16
Publishing country	England
Document type	Journal Article ; Research Support, N.I.H., Extramural
ZDB-ID	1161284-8
ISSN	1464-3391 ; 0968-0896
ISSN (online)	1464-3391
ISSN	0968-0896
DOI	10.1016/j.bmc.2022.117131
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Article ; Online: Discovery of a small-molecule inhibitor of the TRIP8b-HCN interaction with efficacy in neurons.

Han, Ye / Iyamu, Iredia D / Clutter, Matthew R / Mishra, Rama K / Lyman, Kyle A / Zhou, Chengwen / Michailidis, Ioannis / Xia, Maya Y / Sharma, Horrick / Luan, Chi-Hao / Schiltz, Gary E / Chetkovich, Dane M

The Journal of biological chemistry

2022 Volume 298, Issue 7, Page(s) 102069

Abstract: Major depressive disorder is a critical public health problem with a lifetime prevalence of nearly 17% in the United States. One potential therapeutic target is the interaction between hyperpolarization-activated cyclic nucleotide-gated (HCN) channels ... ...

Abstract	Major depressive disorder is a critical public health problem with a lifetime prevalence of nearly 17% in the United States. One potential therapeutic target is the interaction between hyperpolarization-activated cyclic nucleotide-gated (HCN) channels and an auxiliary subunit of the channel named tetratricopeptide repeat-containing Rab8b-interacting protein (TRIP8b). HCN channels regulate neuronal excitability in the mammalian hippocampus, and recent work has established that antagonizing HCN function rescues cognitive impairment caused by chronic stress. Here, we utilize a high-throughput virtual screen to find small molecules capable of disrupting the TRIP8b-HCN interaction. We found that the hit compound NUCC-0200590 disrupts the TRIP8b-HCN interaction in vitro and in vivo. These results provide a compelling strategy for developing new small molecules capable of disrupting the TRIP8b-HCN interaction.
MeSH term(s)	Animals ; Cyclic Nucleotide-Gated Cation Channels/metabolism ; Depressive Disorder, Major/metabolism ; Hippocampus/metabolism ; Humans ; Hyperpolarization-Activated Cyclic Nucleotide-Gated Channels/metabolism ; Mammals/metabolism ; Neurons/metabolism
Chemical Substances	Cyclic Nucleotide-Gated Cation Channels ; Hyperpolarization-Activated Cyclic Nucleotide-Gated Channels
Language	English
Publishing date	2022-05-24
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't ; Research Support, N.I.H., Extramural
ZDB-ID	2997-x
ISSN	1083-351X ; 0021-9258
ISSN (online)	1083-351X
ISSN	0021-9258
DOI	10.1016/j.jbc.2022.102069
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Article ; Online: Triple reuptake inhibitors as potential next-generation antidepressants: a new hope?

Sharma, Horrick / Santra, Soumava / Dutta, Aloke

Future medicinal chemistry

2015 Volume 7, Issue 17, Page(s) 2385–2406

Abstract: The current therapy for depression is less than ideal with remission rates of only 25-35% and a slow onset of action with other associated side effects. The persistence of anhedonia originating from depressed dopaminergic activity is one of the most ... ...

Abstract	The current therapy for depression is less than ideal with remission rates of only 25-35% and a slow onset of action with other associated side effects. The persistence of anhedonia originating from depressed dopaminergic activity is one of the most treatment-resistant symptoms of depression. Therefore, it has been hypothesized that triple reuptake inhibitors (TRIs) with potency to block dopamine reuptake in addition to serotonin and norepinephrine transporters should produce higher efficacy. The current review comprehensively describes the development of TRIs and discusses the importance of evaluation of in vivo transporter occupancy of TRIs, which should correlate with efficacy in humans.
MeSH term(s)	Animals ; Antidepressive Agents/chemistry ; Antidepressive Agents/pharmacology ; Antidepressive Agents/therapeutic use ; Depressive Disorder/drug therapy ; Drug Evaluation, Preclinical ; Humans ; Maze Learning/drug effects ; Neurotransmitter Uptake Inhibitors/chemistry ; Neurotransmitter Uptake Inhibitors/pharmacology ; Neurotransmitter Uptake Inhibitors/therapeutic use
Chemical Substances	Antidepressive Agents ; Neurotransmitter Uptake Inhibitors
Language	English
Publishing date	2015-11-30
Publishing country	England
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Review
ISSN	1756-8927
ISSN (online)	1756-8927
DOI	10.4155/fmc.15.134
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Article: Understanding the Structural Requirements of Hybrid (S)-6-((2-(4-Phenylpiperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol and its Analogs as D2/D3 Receptor Ligands: A Three-Dimensional Quantitative Structure-Activity Relationship (3D QSAR) Investigation.

Modi, Gyan / Sharma, Horrick / Kharkar, Prashant S / Dutta, Aloke K

MedChemComm

2014 Volume 5, Issue 9, Page(s) 1384–1399

Abstract: To gain insights into the structural requirements for dopamine D2 and D3 agonists in the treatment of Parkinson's disease (PD) and to elucidate the basis of selectivity for D3 over D2 (D2/D3), 3D quantitative structure-activity relationship (3D QSAR) ... ...

Abstract	To gain insights into the structural requirements for dopamine D2 and D3 agonists in the treatment of Parkinson's disease (PD) and to elucidate the basis of selectivity for D3 over D2 (D2/D3), 3D quantitative structure-activity relationship (3D QSAR) investigations using CoMFA (comparative molecular field analysis) and CoMSIA (comparative molecular similarity indices analysis) methods were performed on a series of 45 structurally related D2 and D3 dopaminergic ligands. Two alignment methods (atom-based and flexible) and two charge calculation methods (Gasteiger-Hückel and AM1) were used in the present study. Overall, D2 affinity and selectivity (D2/D3) models performed better with r
Language	English
Publishing date	2014-09-09
Publishing country	England
Document type	Journal Article
ZDB-ID	2545949-1
ISSN	2040-2511 ; 2040-2503
ISSN (online)	2040-2511
ISSN	2040-2503
DOI	10.1039/C4MD00159A
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