Design, virtual screening and docking study of novel NS3 inhibitors by targeting protein-protein interacting sites of dengue virus - a novel approach.

Abstract:

:Currently dengue is a serious disease which has become a global burden in the last decade. Unfortunately, there are no effective drugs and vaccines against this disease. DENV non-structural protein (NS) 3, which is viral protease which is a potential target for antiviral therapy. Targeting this we performed homology modeling and protein-protein docking study of NS3 with NRBP (Nuclear Receptor Binding Protein) of human as it has been proved that NS3 of DENV interacts with NRBP which causes cellular trafficking in human cell. To carry out search of novel DENV protease inhibitors by in silico screening panduratin molecule was selected. 65 novel compounds were designed which involved substituting positions 1-5 of the benzyl ring A (4hydroxy-panduratinA) with various substituents. The protein-protein docking showed that the aminoacid residues of NS3 which were interacting with NRBP were found to be Ala 325, Asp 324, Phe 326, Asp 335, Glu 336, Glu 328, Asp 485, Gln 478, Arg 459, Gly 446 and Leu 480. These residues were targeted by the ligands which showed excellent binding affinity as binding energy. The ligand PKP10 showed lowest binding energy. It is also observed that the interface residues participated in the protein-protein interaction are being inhibited by the ligands.

journal_name

Curr Pharm Biotechnol

authors

Parida P,Yadav RN,Sarma K,Nainwal LM

doi

10.2174/1389201014666131226160025

subject

Has Abstract

pub_date

2013-01-01 00:00:00

pages

995-1008

issue

11

eissn

1389-2010

issn

1873-4316

pii

CPB-EPUB-58307

journal_volume

14

pub_type

杂志文章
  • Lipid based nanocapsules: a multitude of biomedical applications.

    abstract::Lipid nanocapsules with their unique composition represent a promising biocompatible drug delivery platform in nanometer range with narrow size distribution. They are highly stable in comparison to other nano-vectors and were found to impart very desirable characteristics to the therapeutic molecule being delivered wi...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章,评审

    doi:10.2174/138920101604150218103555

    authors: Nasr M,Abdel-Hamid S

    更新日期:2015-01-01 00:00:00

  • Polymorphisms in Gap Junction Proteins and their Role in Predisposition of Acute Myocardial Infarction in Egyptians.

    abstract:BACKGROUND:Connexin (Cx) proteins are the building blocks of gap junctions. Among these, Cx37 and Cx40 are expressed on vascular system and reported to have cardioprotective role. Linking polymorphisms in genes coding for Cx and coronary artery disease (CAD) risk showed conflicting results in different populations. Non...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章

    doi:10.2174/1389201018666171002125432

    authors: El Tahry FA,Hashad IM,Abdel Rahman MF,Gad MZ

    更新日期:2017-11-10 00:00:00

  • Nanosuspension as an Efficient Carrier for Improved Ocular Permeation of Voriconazole.

    abstract:BACKGROUND:The present limitations related to the ocular administration of antifungal drugs for the treatment of fungal keratitis include poor ocular bioavailability, limited retention time, and low ocular tissues penetration. METHODS:This study aimed to prepare a novel ophthalmic voriconazole-loaded nanosuspension ba...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章

    doi:10.2174/1389201021999200820154918

    authors: Qin T,Dai Z,Xu X,Zhang Z,You X,Sun H,Liu M,Zhu H

    更新日期:2020-08-20 00:00:00

  • Targeted oncolytic herpes simplex viruses for aggressive cancers.

    abstract::Herpes simplex virus (HSV) is a well-known vector that is often used for gene therapy to treat cancers. The most attractive feature of HSV is its ability to destroy tumors through a distinctive oncolytic mechanism where the virus can destroy cancer cells via cell lysis, a killing function that no anti-cancer drugs can...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章,评审

    doi:10.2174/138920112800958751

    authors: Wong J,Lee C,Zhang K,Rennie PS,Jia W

    更新日期:2012-07-01 00:00:00

  • Proliposomes for oral delivery: progress and challenges.

    abstract::Proliposomes are phospholipid based drug delivery systems that are finding important applications in the field of pharmaceutics. Proliposomes have been extensively studied as a potential carrier for oral delivery of drugs with poor bioavailability, but the mechanism of absorption and cellular uptake pathways has not y...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章,评审

    doi:10.2174/1389201016666150118134256

    authors: Nekkanti V,Venkatesan N,Betageri GV

    更新日期:2015-01-01 00:00:00

  • Identification and Molecular Docking Studies of Bioactive Principles from Alphonsea madraspatana Bedd. against Uropathogens.

    abstract:AIMS:The present study aims to determine the antimicrobial efficacy of Alphonsea madraspatana leaves extract against selected uropathogens. BACKGROUND:The plant Alphonsea madraspatana is an endangered species, reported to exhibit high antimicrobial activity due to the presence of phenolic compounds. Prevalence of high...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章

    doi:10.2174/1389201021666200107114846

    authors: Sahu A,Ghosh G,Rath G

    更新日期:2020-01-01 00:00:00

  • Roles of calcium-sensing receptor (CaSR) in renal mineral ion transport.

    abstract::Calcium-sensing receptor (CaSR), a member of family C of the G protein-coupled receptors, is expressed most abundantly in the parathyroid glands and kidney. It plays key role in these two organs because it senses changes in extracellular calcium and regulates PTH secretion and calcium reabsorption to suit the extracel...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章,评审

    doi:10.2174/138920109787847475

    authors: Vezzoli G,Soldati L,Gambaro G

    更新日期:2009-04-01 00:00:00

  • Ecofriendly Ethyl Cellulose Microsponges of Citronella Oil: Preparation, Characterization and Evaluation of Cytotoxicity and Larvicidal assay.

    abstract:BACKGROUND:Citronella Oil (CO) was used by the Indian army as mosquito repellant to repel mosquitoes at the beginning of the 20th century and later in 1948, it was registered in the USA for commercial purposes. Due to its ecofriendly nature, CO possesses immense potential as a mosquito repellent. METHODS:Citronella oi...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章

    doi:10.2174/1389201020666191120124314

    authors: Sharma R,Kumar N,Singh SP,Kumar S,Rao R

    更新日期:2020-01-01 00:00:00

  • Counting and behavior of an individual fluorescent molecule without hydrodynamic flow, immobilization, or photon count statistics.

    abstract::Many theoretical models of molecular interactions, biochemical and chemical reactions are described on the single-molecule level, although our knowledge about the biochemical/chemical structure and dynamics primarily originates from the investigation of many-molecule systems. At present, there are four experimental pl...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章

    doi:10.2174/1389201043376986

    authors: Földes-Papp Z,Baumann G,Demel U,Tilz GP

    更新日期:2004-04-01 00:00:00

  • The role of endogenous H2S in cardiovascular physiology.

    abstract::Recent research has shown that the endogenous gas hydrogen sulphide (H2S) is a signalling molecule of considerable biological potential and has been suggested to be involved in a vast number of physiological processes. In the vascular system, H2S is synthesized from cysteine by cystathionine-γ-lyase (CSE) in smooth mu...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章,评审

    doi:10.2174/138920111798280956

    authors: Skovgaard N,Gouliaev A,Aalling M,Simonsen U

    更新日期:2011-09-01 00:00:00

  • Advances in biotechnology for tissue engineering of bone.

    abstract::Tissue engineering is a rapidly developing field applying the disciplines of cell biology, developmental biology, molecular biology and biomimetic engineering to regenerate new tissues for replacement therapies in clinical contexts. To aid in the elicitation and reiteration of the processes of morphogenesis of tissues...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章,评审

    doi:10.2174/1389201003379031

    authors: Ripamonti U,Tasker JR

    更新日期:2000-07-01 00:00:00

  • Effectiveness of Bacteriophage Therapy in Field Conditions and Possible Future Applications.

    abstract:BACKGROUND:Bacteriophages are viruses, which are obligate parasites of specific bacteria for the completion of their lifecycle. Bacteriophages could be the possible alternative to antibioticresistant bacterial diseases. With this objective, extensive research in different fields is published which are discussed in this...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章,评审

    doi:10.2174/1389201021666191217111156

    authors: Adhikari N,Acharya KP

    更新日期:2020-01-01 00:00:00

  • Immunogenicity assessment of therapeutic proteins and peptides.

    abstract::Assessment of immunogenicity is a major aspect in evaluating the safety of biological therapeutic proteins. It is important to evaluate the immunogenic potential of the biologics in an appropriate fashion using clearly defined strategy and clinical trials. The studies must include the appropriate risk assessment proce...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章,评审

    doi:10.2174/138920109788488860

    authors: Kaliyaperumal A,Jing S

    更新日期:2009-06-01 00:00:00

  • Biotechnological potential of sponge-associated bacteria.

    abstract::As sessile and filter-feeding metazoans, marine sponges represent an ecologically important and highly diverse component of marine benthic communities throughout the world. It has been suggested that marine sponges are hosts to many microorganisms which can constitute up to 40-60% of its biomass. Recently, sponges hav...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章,评审

    doi:10.2174/1389201015666140711115033

    authors: Santos-Gandelman JF,Giambiagi-deMarval M,Oelemann WM,Laport MS

    更新日期:2014-01-01 00:00:00

  • Structures of TGF-β receptor complexes: implications for function and therapeutic intervention using ligand traps.

    abstract::TGF-β isoforms (TGF-β1, -β2, and -β3) are secreted signaling ligands that stimulate the expression of protein components of the extracellular matrix, regulate the growth and differentiation of epithelial cells, modulate immune cell function, and play roles in the development of several essential organs, including the ...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章,评审

    doi:10.2174/138920111798808383

    authors: Hinck AP,O'Connor-McCourt MD

    更新日期:2011-12-01 00:00:00

  • Imaging adoptive cell transfer based cancer immunotherapy.

    abstract::The prospect of mobilizing the power of the immune system in the fight against cancer has fascinated generations of immunologists. After decades of sporadic successes scattered amongst frequent failures, the field of tumor immunology is now poised to take advantage of a greatly improved understanding of the molecular ...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章,评审

    doi:10.2174/138920110792246528

    authors: Rabinovich BA,Radu CG

    更新日期:2010-09-01 00:00:00

  • Immunotherapy Approaches in Cancer Treatment.

    abstract::Tumor immune surveillance paradigm presumes that most pre-malignant cells or early malignant lesions can be eliminated (or at least controlled) by cells of the immune system. A critical feature that distinguishes advanced tumors from early neoplastic lesions is their capability to evade immune control. As a consequenc...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章,评审

    doi:10.2174/1389201016666150619114554

    authors: Klener P Jr,Otáhal P,Lateckova L,Klener P

    更新日期:2015-01-01 00:00:00

  • Oligonucleotide mediated gene targeting in mammalian cells.

    abstract::Gene targeting can be loosely defined as a process through which a specific chromosomal sequence is recognized and bound by a reagent designed for the purpose. The endpoint may be modulation of events at the target, such as transcription, or a permanent change in sequence at the site. A facile strategy for mammalian c...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章,评审

    doi:10.2174/1389201043376625

    authors: Seidman MM

    更新日期:2004-10-01 00:00:00

  • Triamcinolone and intraocular sustained-release delivery systems in diabetic retinopathy.

    abstract::Diabetic retinopathy (DR) still represents one of the leading causes of vision loss worldwide. Since this condition affects the posterior segment of the eye, topical application of ophthalmic medicines is of limited benefit, considering that they seldom reach therapeutic levels in the affected tissues. Systemic medica...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章,评审

    doi:10.2174/138920111794480598

    authors: Yilmaz T,Cordero-Coma M,Lavaque AJ,Gallagher MJ,Padula WV

    更新日期:2011-03-01 00:00:00

  • Current Advances in Food Science & Health Promotion (Part I).

    abstract:: ...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 社论

    doi:10.2174/138920101913190108104855

    authors: Giaginis C

    更新日期:2018-01-01 00:00:00

  • Momordica balsamina: a medicinal and neutraceutical plant for health care management.

    abstract::Momordica balsamina, African pumpkin (Cucurbitaceae), is a tendril-bearing, wild climber containing wide spectrum of medicinal and nutritional values and has been used as a traditional folk medicine in many countries. The leaves, fruits, seeds, and bark of the plant contains resins, alkaloids, flavonoids, glycosides, ...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章,评审

    doi:10.2174/138920109789542066

    authors: Thakur GS,Bag M,Sanodiya BS,Bhadouriya P,Debnath M,Prasad GB,Bisen PS

    更新日期:2009-11-01 00:00:00

  • Amelioration of myocardial ischemic reperfusion injury with Calendula officinalis.

    abstract::Calendula officinalis of family Asteraceae, also known as marigold, has been widely used from time immemorial in Indian and Arabic cultures as an anti-inflammatory agent to treat minor skin wound and infections, burns, bee stings, sunburn and cancer. At a relatively high dose, calendula can lower blood pressure and ch...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章

    doi:10.2174/138920110793261971

    authors: Ray D,Mukherjee S,Falchi M,Bertelli A,Das DK

    更新日期:2010-12-01 00:00:00

  • Bortezomib as an antitumor agent.

    abstract::The ubiquitin-proteasome pathway (UPP) is the major non-lysosomal proteolytic system in the cytosol and nucleus of all eukaryotic cells. Bortezomib (also known as PS-341 and Velcade) is a proteasome inhibitor, a novel class of cancer therapies. Bortezomib blocks multi-ubiquitinated protein degradation by inhibiting 26...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章,评审

    doi:10.2174/138920106779116865

    authors: Roccaro AM,Hideshima T,Richardson PG,Russo D,Ribatti D,Vacca A,Dammacco F,Anderson KC

    更新日期:2006-12-01 00:00:00

  • Anticancer Potential of Calli Versus Seedling Extracts Derived from Rosmarinus officinalis and Coleus hybridus.

    abstract:BACKGROUND:In Saudi Arabia, the incidence and mortality rates of breast cancer are high. Although current treatments are effective, breast cancer cells develop resistance to these treatments. Numerous studies have demonstrated that active compounds in plant extracts, such as the phenolic compound Rosmarinic Acid (RA), ...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章

    doi:10.2174/1389201021666200318114817

    authors: Albogami S,Darwish H,Abdelmigid HM,Alotaibi S,El-Deen AN,Alnefaie A,Alattas A

    更新日期:2020-01-01 00:00:00

  • A New Era for Cancer Target Therapies: Applying Systems Biology and Computer-Aided Drug Design to Cancer Therapies.

    abstract::In recent years, many systems biology approaches have been used with various cancers. The materials described here can be used to build bases to discover novel cancer therapy targets in connection with computer-aided drug design (CADD). A deeper understanding of the mechanisms of cancer will provide more choices and c...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章,评审

    doi:10.2174/1389201017666161019160606

    authors: Wong YH,Chiu CC,Lin CL,Chen TS,Jheng BR,Lee YC,Chen J,Chen BS

    更新日期:2016-01-01 00:00:00

  • Biological Aspects and Clinical Applications of Mesenchymal Stem Cells: Key Features You Need to be Aware of.

    abstract::Mesenchymal stem cells (MSCs), a form of adult stem cells, are known to have a self-renewing property and the potential to specialize into a multitude of cells and tissues such as adipocytes, cartilage cells, and fibroblasts. MSCs can migrate and home to the desired target zone where inflammation is present. The uniqu...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章

    doi:10.2174/1389201021666200907121530

    authors: Saeedi M,Nezhad MS,Mehranfar F,Golpour M,Esakandari MA,Rashmeie Z,Ghorbani M,Nasimi F,Hoseinian SN

    更新日期:2020-09-07 00:00:00

  • Recent Developments of Three-Dimensional Paper-Based Electrochemical Devices for Cancer Cell Detection and Anticancer Drug Screening.

    abstract::Cancer, as the most serious threat to human health, poses millions of deaths in the world each year. In vitro cancer cell and biomarker detection is of great importance for early cancer diagnosis and therapy, which needs highly sensitive, selective and quantitative diagnosis platforms. Threedimensional paper-based ele...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章,评审

    doi:10.2174/1389201017666160519111702

    authors: Li Z,Hu J,Xu F,Li F

    更新日期:2016-01-01 00:00:00

  • Mitochondriotropic cationic vesicles: a strategy towards mitochondrial gene therapy.

    abstract::The number of diseases found to be associated with defects of the mitochondrial genome has grown significantly over the last decade. Despite major advances in understanding mtDNA defects at the genetic and biochemical level, there is no satisfactory treatment for the vast majority of patients available. This is largel...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章,评审

    doi:10.2174/1389201003378870

    authors: Weissig V,Torchilin VP

    更新日期:2000-12-01 00:00:00

  • The Effects of X-Ray Irradiation on Safety and Nutritional Value of Food: A Systematic Review Article.

    abstract::X-ray is a non-thermal technology that has shown good efficacy in reducing pathogenic and spoilage bacteria, viruses and parasites. X-ray hygiene technology resulted in a high microbial loss in numerous food products, such as dairy products, ready-to-eat shrimp, oysters, fresh products, strawberries, shredded iceberg ...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章

    doi:10.2174/1389201021666200219093834

    authors: Zehi ZB,Afshari A,Noori SMA,Jannat B,Hashemi M

    更新日期:2020-01-01 00:00:00

  • Metabolism of Nine Synthetic Cannabinoid Receptor Agonists Encountered in Clinical Casework: Major in vivo Phase I Metabolites of AM-694, AM-2201, JWH-007, JWH-019, JWH-203, JWH-307, MAM-2201, UR-144 and XLR-11 in Human Urine Using LC-MS/MS.

    abstract:BACKGROUND:`Herbal mixtures` containing synthetic cannabinoid receptor agonists (SCRAs) are promoted as legal alternative to marihuana and are easily available via the Internet. Keeping analytical methods for the detection of these SCRAs up-to-date is a continuous challenge for clinicians and toxicologists due to the h...

    journal_title:Current pharmaceutical biotechnology

    pub_type: 杂志文章

    doi:10.2174/1389201019666180509163114

    authors: Hutter M,Broecker S,Kneisel S,Franz F,Brandt SD,Auwarter V

    更新日期:2018-01-01 00:00:00