In silico machine learning methods in drug development.

abstract：:Rheumatoid Arthritis (RA) is a chronic autoimmune inflammatory disease that affects largely synovial joints. It has been postulated that activated autoreactive CD4 T cells play a key role in triggering and/or maintaining the chronic inflammatory process in RA. Dendritic cells (DCs) are antigen-presenting cells that ac...

journal_title：Current topics in medicinal chemistry

authors： Rodríguez-Fernández JL

更新日期：2013-01-01 00:00:00

abstract：:Emergence of drug-resistant viral strains is one of the major milestones and the main cause for the failure of antiretroviral therapy. Combination of different anti-HIV agents has become the standard clinical practice to keep the viral load at low or even undetectable levels and to prevent emergence of virus-drug resi...

journal_title：Current topics in medicinal chemistry

authors： Camarasa MJ,San-Félix A,Velázquez S,Pérez-Pérez MJ,Gago F,Balzarini J

更新日期：2004-01-01 00:00:00

abstract：:Over the past decades, a tremendous rise in invasive fungal infection diseases attributed to the yeast Candida albicans in immunocompromised individuals poses a seriously challenging issue. Another concern is the emergence of multi-drug resistant pathogens to the existing medicines due to their overuse and misuse. It ...

journal_title：Current topics in medicinal chemistry

authors： Tratrat C

更新日期：2020-01-01 00:00:00

abstract：:A proper balance between oxidants and antioxidants is necessary in maintaining health and longevity. Alterations in this balance may result in oxidative stress causing functional disorders and diseases. Oxidative stress is considered to play a vital role in the pathogenesis of diabetes and its complications. Flavanone...

journal_title：Current topics in medicinal chemistry

authors： Sharma M,Akhtar N,Sambhav K,Shete G,Bansal AK,Sharma SS

更新日期：2015-01-01 00:00:00

abstract：:Schizophrenia (SZ) is a severe neuropsychiatric disorder. A leading hypothesis is that SZ is a brain dysconnection syndrome, involving abnormal interactions between widespread brain networks. Resting state functional magnetic resonance imaging (R-fMRI) is a powerful tool to explore the dysconnectivity of brain network...

journal_title：Current topics in medicinal chemistry

authors： Yu Q,Allen EA,Sui J,Arbabshirani MR,Pearlson G,Calhoun VD

更新日期：2012-01-01 00:00:00

abstract：:This article is a review with 83 references of the application of NMR to the measurement of the dissociation constants of protein-ligand complexes. After briefly discussing some general concepts of molecular stability, the text turns to consider which NMR parameters are reporters of complex formation. The available da...

journal_title：Current topics in medicinal chemistry

authors： Fielding L

更新日期：2003-01-01 00:00:00

abstract：INTRODUCTION:Mosquito borne diseases continue to propagate and cause millions of deaths annually. They are caused either by protozoan parasites such as Plasmodium, Toxoplasma or by flaviviruses including Dengue and Zika. Among the proteome of such parasitic organisms, proteases play essential roles in events such as ho...

journal_title：Current topics in medicinal chemistry

authors： Pant A,Pasupureddy R,Pande V,Seshadri S,Dixit R,Pandey KC

更新日期：2017-01-01 00:00:00

abstract：:Plasmodium has a complex life cycle that spans between mosquito and human. For survival and pathogenesis it banks upon dynamic alterations in ionic transport across organelle and plasma membrane. Being a fundamental contributor of crucial biological processes in parasite, ionic balance facilitates parasite invasion, a...

journal_title：Current topics in medicinal chemistry

authors： Bharti H,Singal A,Raza M,Ghosh PC,Nag A

更新日期：2019-01-01 00:00:00

abstract：:The field of quantitative structure activity relationships (QSAR) has evolved into an integral tool for pharmaceutical discovery. It is presently an accessible technology, as can be shown by the number papers which are easily found through PubMed literature searches. At one level, QSAR is used routinely and invisibly ...

journal_title：Current topics in medicinal chemistry

authors： Sprous DG,Palmer RK,Swanson JT,Lawless M

更新日期：2010-01-01 00:00:00

abstract：:Coumarins are natural products characterized as 1,2 benzopyrones widely distributed in plants, as well as, in many species of fungi and bacteria. Nowadays, many synthetic procedures allow the discovery of coumarins with expanded chemical space. The ability to exert noncovalent interactions with many enzymes and recept...

journal_title：Current topics in medicinal chemistry

authors： Pereira TM,Franco DP,Vitorio F,Kummerle AE

更新日期：2018-01-01 00:00:00

abstract：:Sialorrhea or excessive drooling is a significant medical issue in Parkinson's disease (PD) and neurodegenerative disorders, although it is often underreported by patients. Sialorrhea affects a large proportion of PD patients, ranging up to 78% in advanced stages, with many PD patients considering drooling as their wo...

journal_title：Current topics in medicinal chemistry

authors： Farber NM,Perez-Lloret S,Gamzu ER

更新日期：2015-01-01 00:00:00

abstract：:Thiosemicarbazones (TSCNs) constitute a broad family of compounds (R1R2C=N-NH-C(S)- NR3R4), particularly attractive because many of them display some biological activity against a wide range of microorganisms and cancer cells. Their activity can be related to their electronic and structural properties, which offer a r...

journal_title：Current topics in medicinal chemistry

authors： Matesanz AI,Herrero JM,Quiroga AG

更新日期：2021-01-01 00:00:00

abstract：:This article focuses on the GDNF family of neurotrophic factors as a potential new class of therapeutics for neuropathic pain, with a particular emphasis on the ligands, artemin and GDNF. In vivo activity of the ligands, expression of ligands and receptors after peripheral nerve injury, and modulation of nerve injury-...

journal_title：Current topics in medicinal chemistry

authors： Sah DW,Ossipov MH,Rossomando A,Silvian L,Porreca F

更新日期：2005-01-01 00:00:00

abstract：:KRAS is the most common oncogene to be mutated in lung cancer, and therapeutics directly targeting KRAS have proven to be challenging. The mutations of KRAS are associated with poor prognosis, and resistance to both adjuvant therapy and targeted EGFR TKI. EGFR TKIs provide significant clinical benefit for patients who...

journal_title：Current topics in medicinal chemistry

authors： He H,Xu C,Cheng Z,Qian X,Zheng L

更新日期：2019-01-01 00:00:00

abstract：:Pyrimidine and purine nucleosides and their derivatives have critical functions and pharmacological applications in the brain. Nucleosides and nucleobases are precursors of nucleotides, which serve as the energy-rich currency of intermediary metabolism and as precursors of nucleic acids. Nucleosides (e.g., adenosine) ...

journal_title：Current topics in medicinal chemistry

authors： Parkinson FE,Damaraju VL,Graham K,Yao SY,Baldwin SA,Cass CE,Young JD

更新日期：2011-01-01 00:00:00

abstract：:The emergence of multi-resistant bacteria to drugs is recognized as a major cause of the increasing number of deaths in hospitals. Killing these bacteria require multiple expensive drugs that can have side effects. Metal nanoparticles may provide a new strategy to combat them. Due the antimicrobial and antiviral prope...

journal_title：Current topics in medicinal chemistry

authors： Oktar FN,Yetmez M,Ficai D,Ficai A,Dumitru F,Pica A

更新日期：2015-01-01 00:00:00

abstract：:In recent years, relationship between free radicals and oxidative stress with aging, cancer, atherosclerosis, neurodegenerative disorders, diabetes, and inflammatory diseases became increasingly clear. Confirming the role of oxidants in numerous pathological conditions such as cancer, the antioxidants developed as the...

journal_title：Current topics in medicinal chemistry

authors： Karaaslan C,Suzen S

更新日期：2015-01-01 00:00:00

abstract：:As the first stable tachysterol analogs, 14-epi-19-nortachysterol and its 2-substituted derivatives were synthesized using the Stille coupling reaction between the A-ring precursor (three vinylstannanes) and the CD-ring vinyl trifrate. Among them, the 2-methylidene group was hydrogenated with Wilkinson's catalyst regi...

journal_title：Current topics in medicinal chemistry

authors： Sawada D,Kittaka A

更新日期：2014-01-01 00:00:00

abstract：BACKGROUND:Polyphenols are organic compounds widely found in plants and possess many diverse biological activities. In the current study, eleven polyphenolic compounds [rutin (1), trans-ferulic acid (2), epigallaocatechin gallate (3), fumaric acid (4), chlorogenic acid (5), gallic acid (6), trans-resveratrol (7), propy...

journal_title：Current topics in medicinal chemistry

authors： Rauf A,Orhan IE,Ertas A,Temel H,Hadda TB,Saleem M,Raza M,Khan H

更新日期：2017-01-01 00:00:00

abstract：:Several non-cardiovascular drugs have been withdrawn from the market due to their inhibition of hERG K+ channels that can potentially lead to severe heart arrhythmia and death. As hERG safety testing is a mandatory FDArequired procedure, there is a considerable interest for developing predictive computational tools to...

journal_title：Current topics in medicinal chemistry

authors： Braga RC,Alves VM,Silva MF,Muratov E,Fourches D,Tropsha A,Andrade CH

更新日期：2014-01-01 00:00:00

abstract：:Several strategies used in the rational design and synthesis of fluorinated compounds as potential therapeutic agents are reviewed. Applications of fluorine substitution in empirical SAR studies for lead development also are discussed, along with the implications with respect to fluorine target interactions that can b...

journal_title：Current topics in medicinal chemistry

authors： Kirk KL

更新日期：2006-01-01 00:00:00

abstract：:Fragment-based drug discovery (FBDD) needs a biophysical assay to complement, or even replace, biochemical screening. NMR is the best choice for this because NMR delivers many different types of data that impacts medicinal chemistry decisions. There are a multitude of different NMR methods which can be employed to the...

journal_title：Current topics in medicinal chemistry

authors： Zartler ER,Mo H

更新日期：2007-01-01 00:00:00

abstract：:Thermolysin (TLN) and other thermolysin-like zinc metalloproteinases (TLPs),are important virulence factors for pathogenesis of bacterial infections by suppressing the innate immune system of the host. Therapeutic inhibition ofTLPs is believed to be a novel strategy inthe development of a new generation antibiotics.In...

journal_title：Current topics in medicinal chemistry

authors： Khan MT,Dedachi K,Matsui T,Kurita N,Borgatti M,Gambari R,Sylte I

更新日期：2012-01-01 00:00:00

abstract：:Tuberculosis (TB) is caused by the bacterium Mycobacterium tuberculosis and is a common infectious disease with high mortality and morbidity. The increasing prevalence of drug-resistant strains of TB presents a major public health problem. Due to the lack of effective drugs to treat these drug-resistant strains, the d...

journal_title：Current topics in medicinal chemistry

authors： Koseki Y,Aoki S

更新日期：2014-01-01 00:00:00

abstract：:Latest microarray-based technologies, including small molecule-, peptide-, protein- and cell-based arrays, and their applications in the field of proteomics are reviewed. ...

journal_title：Current topics in medicinal chemistry

authors： Chen GY,Uttamchandani M,Lue RY,Lesaicherrea ML,Yao SQ

更新日期：2003-01-01 00:00:00

abstract：:(18)F-labeled amino acids are an important class of imaging agents for positron emission tomography (PET) that target the increased rates of amino acid transport by many tumor cells. This class of tracers is structurally diverse, and the biological and imaging properties of a given (18)F-labeled amino acid depends lar...

journal_title：Current topics in medicinal chemistry

authors： Huang C,McConathy J

更新日期：2013-01-01 00:00:00

abstract：:The IkappaB kinases (IKKs) are essential components of the signaling pathway by which the NF-kappaB p50/RelA transcription factor is activated in response to pro-inflammatory stimuli such as lipopolysaccharide (LPS) and tumor necrosis factor (TNFalpha). NF-kappaB signaling results in the expression of numerous genes i...

journal_title：Current topics in medicinal chemistry

authors： Bamborough P,Callahan JF,Christopher JA,Kerns JK,Liddle J,Miller DD,Morse MA,Rumsey WL,Williamson R

更新日期：2009-01-01 00:00:00

abstract：:In recent times, the novel concept of generating hybrid molecules by pharmacophoric hybridisation approach is fast becoming an alternative to other existing strategies of drug development. These hybrids also known as 'dual drugs' or 'double drugs' are especially found to be effective in overcoming drug resistance prob...

journal_title：Current topics in medicinal chemistry

authors： Manohar S,Tripathi M,Rawat DS

更新日期：2014-01-01 00:00:00

abstract：BACKGROUND:Development of acetyl- (AChE) and butyrylcholinesterase (BuChE) inhibitors belongs to viable strategies for the treatment of dementia and other diseases related to decrease in cholinergic neurotransmission. OBJECTIVE:That is why we designed twenty-two analogues of a dual AChEBuChE salicylanilide inhibitor, ...

journal_title：Current topics in medicinal chemistry

authors： Krátký M,Jaklová K,Štěpánková Š,Svrčková K,Pflégr V,Vinšová J

更新日期：2020-01-01 00:00:00

abstract：:Characteristic symptoms of schizophrenia and bipolar disorders have been described and classified about a century ago. Each of these disorders may cause considerable impairment reflecting substantial alterations in cognition, perception, and mood. Though both disease concepts are well established, psychopharmacologica...

journal_title：Current topics in medicinal chemistry

authors： Bumb JM,Enning F,Leweke FM

更新日期：2013-01-01 00:00:00