Indian journal of biochemistry & biophysics最新文献

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Oxidative stress in patients with differentiated thyroid cancer: early effects of radioiodine therapy. 分化型甲状腺癌患者的氧化应激:放射性碘治疗的早期效果。
IF 1.4 4区 生物学
Olgica B Vrndic, Snezana D Radivojevic, Marina D Jovanovic, Svetlana M Djukic, Ljiljana C Mijatovic Teodorovic, Snezana T Zivancevic Simonovic
{"title":"Oxidative stress in patients with differentiated thyroid cancer: early effects of radioiodine therapy.","authors":"Olgica B Vrndic,&nbsp;Snezana D Radivojevic,&nbsp;Marina D Jovanovic,&nbsp;Svetlana M Djukic,&nbsp;Ljiljana C Mijatovic Teodorovic,&nbsp;Snezana T Zivancevic Simonovic","doi":"","DOIUrl":"","url":null,"abstract":"<p><p>Ionizing radiation in differentiated thyroid cancer (DTC) patients treated with radioiodine (131-I) produces reactive oxygen species (ROS), which could induce oxidative stress with disturbance of redox balance. The aim of this study was to evaluate oxidative stress in DTC patients treated with 3.7 or 5.5 GBq of 131-I using values for serum malondialdehyde (MDA, a marker of oxidative stress), uric acid (to determine antioxidant status) and total antioxidative status (TAS). The study population included 20 DTC patients and 20 healthy controls. Significant differences in MDA concentrations were found between DTC patients before 131-I therapy and control subjects (p = 0.001), while TAS values were similar in both populations (p > 0.05). There was a negative correlation between MDA concentrations and TAS in the DTC group before therapy (R2 = 0.2973, p = 0.013). Three days after 131-I therapy, MDA concentrations were higher than the pretreatment values (3.36 +/- 1.69 nmol/mL vs. 2.93 +/- 1.31 nmol/mL; p = 0.006), while serum uric acid concentrations declined progressively from 341.0 +/- 80.39 micromol/L to 304.25 +/- 77.25 micromol/L (p = 0.026) in 3 days and 291.2 +/- 88.86 micromol/L (p = 0.009) in 7 days after 131-I therapy. There was no dose-dependent effect on MDA, or uric acid concentrations and TAS. Thus, 131-I therapy in DTC patients induced oxidative stress, which was accompanied by a simultaneous and extended reduction in uric acid concentration, but without significant disturbances in TAS. This is the first study that evaluated TAS capacity in DTC patients before and 7 days after 131-I therapy. The relatively stabile TAS values in these patients indicated a good protection from oxidative stress induced by high doses of ionizing radiation.</p>","PeriodicalId":13281,"journal":{"name":"Indian journal of biochemistry & biophysics","volume":"51 3","pages":"223-9"},"PeriodicalIF":1.4,"publicationDate":"2014-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32653618","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Fibrinogen, bFGF and VEGF levels during antibiotic therapy in gynecologic cancer: a preliminary report. 妇科肿瘤抗生素治疗期间纤维蛋白原、bFGF和VEGF水平:初步报告。
IF 1.4 4区 生物学
Aleksandra Palatyńska-Ulatowska, Marta Michalska, Andrzej Łazarenkow, Jolanta Nawrot-Modrank, Marek Mirowski, Antoni Palatyński, Dorota Jesionek-Kupnicka
{"title":"Fibrinogen, bFGF and VEGF levels during antibiotic therapy in gynecologic cancer: a preliminary report.","authors":"Aleksandra Palatyńska-Ulatowska,&nbsp;Marta Michalska,&nbsp;Andrzej Łazarenkow,&nbsp;Jolanta Nawrot-Modrank,&nbsp;Marek Mirowski,&nbsp;Antoni Palatyński,&nbsp;Dorota Jesionek-Kupnicka","doi":"","DOIUrl":"","url":null,"abstract":"<p><p>The role of angiogenesis in the development of neoplasia has been identified and characterized. However, antiangiogenic therapeutic intervention still requires more evidence to become recognized and successful. The aim of this study was to evaluate levels of selected proangiogenic factors, such as fibrinogen, vascular endothelial growth factor (VEGF) and basic fibroblast growth factor (bFGF) in serum of patients with the gynecologic cancer on the first, third and sixth day of antibiotic therapy, routinely administered as a perioperative treatment. In addition, serum concentrations of gamma-gamma dimers and alpha-polymers of cross-linked fibrin structure and the degree of bFGF binding with the fibrin network were investigated. Immunohistochemistry staining of the excised tumor tissue was also performed. We observed higher levels of bFGF, VEGF, as well as fibrinogen in patients with gynecologic malignancy, as compared to healthy women. In cancer patients, the concentration of alpha-polymers and gamma-gamma dimers of fibrin network increased. Further only gamma-gamma dimers fraction of fibrin was found to bind to bFGF. Immunohistochemical analysis indicated the presence of bFGF in an excised tumor tissue. In conclusion, the decrease of proangiogenic bFGF and fibrinogen levels in a clinical trial of gynecologic patients may confirm anti-angiogenic properties of selected antibiotic therapy.</p>","PeriodicalId":13281,"journal":{"name":"Indian journal of biochemistry & biophysics","volume":"51 3","pages":"230-6"},"PeriodicalIF":1.4,"publicationDate":"2014-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32653619","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Some critical aspects of FT-IR, TGA, powder XRD, EDAX and SEM studies of calcium oxalate urinary calculi. 草酸钙尿路结石的FT-IR、TGA、粉末XRD、EDAX和SEM研究。
IF 1.4 4区 生物学
Vimal S Joshi, Sonal R Vasant, J G Bhatt, Mihir J Joshi
{"title":"Some critical aspects of FT-IR, TGA, powder XRD, EDAX and SEM studies of calcium oxalate urinary calculi.","authors":"Vimal S Joshi,&nbsp;Sonal R Vasant,&nbsp;J G Bhatt,&nbsp;Mihir J Joshi","doi":"","DOIUrl":"","url":null,"abstract":"<p><p>Urinary calculi constitute one of the oldest afflictions of humans as well as animals, which are occurring globally. The calculi vary in shape, size and composition, which influence their clinical course. They are usually of the mixed-type with varying percentages of the ingredients. In medical management of urinary calculi, either the nature of calculi is to be known or the exact composition of calculi is required. In the present study, two selected calculi were recovered after surgery from two different patients for detailed examination and investigated by using Fourier-Transform infrared spectroscopy (FT-IR), thermo-gravimetric analysis (TGA), powder X-ray diffraction (XRD), scanning electron microscopy and energy dispersive analysis of X-rays (EDAX) techniques. The study demonstrated that the nature of urinary calculi and presence of major phase in mixed calculi could be identified by FT-IR, TGA and powder XRD, however, the exact content of various elements could be found by EDAX only.</p>","PeriodicalId":13281,"journal":{"name":"Indian journal of biochemistry & biophysics","volume":"51 3","pages":"237-43"},"PeriodicalIF":1.4,"publicationDate":"2014-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32653620","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Deciphering the binding modes of hematoporphyrin to bovine serum albumin. 血卟啉与牛血清白蛋白的结合方式。
IF 1.4 4区 生物学
Mohammed Ahmed, Apurav Guleria, Ajay K Singh, Tusar Bandyopadhyay, Sisir K Sarkar
{"title":"Deciphering the binding modes of hematoporphyrin to bovine serum albumin.","authors":"Mohammed Ahmed,&nbsp;Apurav Guleria,&nbsp;Ajay K Singh,&nbsp;Tusar Bandyopadhyay,&nbsp;Sisir K Sarkar","doi":"","DOIUrl":"","url":null,"abstract":"<p><p>Interaction of proteins with small molecules is important in understanding delivery and transport of different therapeutic agents, including drugs. In the present study, we investigated the interaction between hematoporphyrin (HP), the principal component of photosensitizing drug with bovine serum albumin (BSA) in aqueous buffer solution using UV-Vis absorption spectroscopy and fluorescence measurements. The results were further substantiated by molecular docking and molecular dynamics (MD) simulation. Our results revealed that fluorescence of BSA was dominantly quenched by the ground-state complex formation with HP accompanied by the electronic energy transfer (EET) to the later. We experimentally determined the thermodynamic parameters such as deltaG0, deltaH0, and deltaS0 for the HP-BSA system which were -35.5 kJ mole(-1), -56.4 kJ mole(-1) and -0.06 kJ mole(-1) K(-1), respectively. These parameters suggested hydrogen-bonding and Van der Waals forces playing major role in the complexation. This was also supported by the binding energy parameters calculated by molecular docking. Moreover, the experimentally determined deltaG0 nicely correlated with those determined by molecular docking and MD-simulation. Further, computational results clearly showed that the binding of HP with BSA in the subdomains IB and IIA.</p>","PeriodicalId":13281,"journal":{"name":"Indian journal of biochemistry & biophysics","volume":"51 3","pages":"175-87"},"PeriodicalIF":1.4,"publicationDate":"2014-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32652667","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Cloning and characterization of 3-hydroxy-3-methylglutaryl-CoA reductase (HMGR) gene from Paris fargesii Franch. 3-羟基-3-甲基戊二酰辅酶a还原酶(HMGR)基因的克隆与鉴定
IF 1.4 4区 生物学
Yili Liang, XueMei Jiang, Qi Hu, Xiaoqi Li, Huaqun Yin, Diqiang Li, Yuguang Zhang, Xueduan Liu
{"title":"Cloning and characterization of 3-hydroxy-3-methylglutaryl-CoA reductase (HMGR) gene from Paris fargesii Franch.","authors":"Yili Liang,&nbsp;XueMei Jiang,&nbsp;Qi Hu,&nbsp;Xiaoqi Li,&nbsp;Huaqun Yin,&nbsp;Diqiang Li,&nbsp;Yuguang Zhang,&nbsp;Xueduan Liu","doi":"","DOIUrl":"","url":null,"abstract":"<p><p>3-Hydroxy-3-methylglutaryl-coenzyme A reductase (HMGR) plays an important role in catalyzing the first committed step of isoprenoids biosynthesis in mevalonic acid (MVA) pathway. Here, we cloned a full-length transcript of Paris fargesii Franch. The full-length cDNA of P. fargesii HMGR (Pf-HMGR, GenBank accession no. JX508638) was 1,973 bp and contained a 1,728 bp ORF encoding 576 amino acids. Sequence analysis revealed that the deduced Pf-HMGR had high similarity with HMGRs from other plants, including Ricinus communis (77%), Litchi chinensis (76%), Michelia chapensis (75%) and Panax quinquefolius (72%). It had a calculated molecular mass of about 62.13 kDa and an isoelectric point (pI) of 8.47. It contained two transmembrane domains, two putative HMGR binding sites and two NADP(H)-binding sites. The predicted 3-D structure revealed that Pf-HMGR had a similar spatial structure with other plant HMGRs. Three catalytic regions, including L-domain, N-domain and S-domain were detected by structural modeling of HMGR. Tissue expression analysis revealed that Pf-HMGR was strongly expressed in roots and stems than in leaves. Taken together, our data laid a foundation for further investigation of HMGR's functions and regulatory mechanisms in plants.</p>","PeriodicalId":13281,"journal":{"name":"Indian journal of biochemistry & biophysics","volume":"51 3","pages":"201-6"},"PeriodicalIF":1.4,"publicationDate":"2014-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32652669","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
NRAS mutations in de novo acute leukemia: prevalence and clinical significance. 新发急性白血病的NRAS突变:患病率和临床意义。
IF 1.4 4区 生物学
Nageswara Rao Dunna, Sugunakar Vuree, Cingeetham Anuradha, Kagita Sailaja, Damineni Surekha, Raghunadha Rao Digumarti, V R Rao, Satish Kumar Yadav, Rajasekhar Reddy, Satti Vishnupriya
{"title":"NRAS mutations in de novo acute leukemia: prevalence and clinical significance.","authors":"Nageswara Rao Dunna,&nbsp;Sugunakar Vuree,&nbsp;Cingeetham Anuradha,&nbsp;Kagita Sailaja,&nbsp;Damineni Surekha,&nbsp;Raghunadha Rao Digumarti,&nbsp;V R Rao,&nbsp;Satish Kumar Yadav,&nbsp;Rajasekhar Reddy,&nbsp;Satti Vishnupriya","doi":"","DOIUrl":"","url":null,"abstract":"<p><p>The activating mutations of the Ras gene or other abnormalities in Ras signaling pathway lead to uncontrolled growth factor-independent proliferation of hematopoietic progenitors. Oncogenic mutations in NRAS gene have been observed with variable prevalence in hematopoietic malignancies. In the present study, NRAS mutations were detected using bidirectional sequencing in 264 acute leukemia cases--129 acute lymphocytic leukemia (ALL) and 135 acute myeloid leukemia (AML) and 245 age- and gender-matched controls. Missense mutation was observed only in the 12th codon of NRAS gene in 4.7% of AML and 3.16% of ALL cases. The presence of NRAS mutation did not significantly influence blast % and lactate dehydrogenase (LDH) levels in AML patients. When the data were analyzed with respect to clinical variables, the total leukocyte count was elevated for mutation positive group, compared to negative group. In AML patients with NRAS mutations, 60% failed to achieve complete remission (CR), as compared to 34.8% in mutation negative group. These results indicated that NRAS mutations might confer poor drug response. In AML, disease free survival (DFS) in NRAS mutation positive group was lesser, compared to mutation negative group (9.5 months vs. 11.68 months). In ALL patients, DFS of NRAS mutation positive group was lesser than mutation negative group (9.2 months vs. 27.5 months). The CR rate was also lower for mutation-positive patients group, compared to mutation-negative group. In conclusion, these results suggested that presence of NRAS mutation at 12th codon was associated with poor response and poorer DFS in both ALL and AML.</p>","PeriodicalId":13281,"journal":{"name":"Indian journal of biochemistry & biophysics","volume":"51 3","pages":"207-10"},"PeriodicalIF":1.4,"publicationDate":"2014-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32652670","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
nspA gene as a specific genetic marker for detection of Neisseria meningitidis causing bacterial meningitis. nspA基因作为检测引起细菌性脑膜炎的脑膜炎奈瑟菌的特异性遗传标记。
IF 1.4 4区 生物学
Neha Bhatt, Nazneen Khan, Sandip K Dash, Shashi Khare, Ashok Kumar
{"title":"nspA gene as a specific genetic marker for detection of Neisseria meningitidis causing bacterial meningitis.","authors":"Neha Bhatt,&nbsp;Nazneen Khan,&nbsp;Sandip K Dash,&nbsp;Shashi Khare,&nbsp;Ashok Kumar","doi":"","DOIUrl":"","url":null,"abstract":"<p><p>Bacterial meningitis caused by Neisseria meningitidis which causes human brain meninges damage, is generally diagnosed from patient cerebrospinal fluid through microscopy, immunological assays, biochemical test, PCR, microarray and biosensors. However, these methods are expensive, time-consuming or non-confirmatory due to certain limitations. A quick PCR based method was developed for detection of bacterial meningitis caused by N. meningitidis using specific primers based on amplification of virulence nspA (Neisseria surface protein A) gene partial sequence (202 bp). The nspA gene amplicon could be used as a genetic marker for minimum detection of 10 ng genomic DNA (G-DNA) of N. meningitidis with high sensitivity only in 80 min, which is least time reported for the confirmation of the disease. However, the lower detection limit was found as low as 1.0 ng G-DNA, but with less sensitivity. The cross-reactivity of the genetic marker, was also studied with other possible pathogens. A comparison with the presently available detection methods and our method was also done using patient samples.</p>","PeriodicalId":13281,"journal":{"name":"Indian journal of biochemistry & biophysics","volume":"51 3","pages":"211-4"},"PeriodicalIF":1.4,"publicationDate":"2014-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32653616","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Rutin ameliorates glycemic index, lipid profile and enzymatic activities in serum, heart and liver tissues of rats fed with a combination of hypercaloric diet and chronic ethanol consumption. 芦丁改善了高热量饮食和慢性乙醇摄入组合喂养的大鼠血清、心脏和肝脏组织中的血糖指数、脂质谱和酶活性。
IF 1.4 4区 生物学
Luiz Gustavo A Chuffa, Beatriz A Fioruci-Fontanelli, Juliana G Bordon, Rafaelle B Pires, Camila P Braga, Fábio R F Seiva, Ana Angélica H Fernandes
{"title":"Rutin ameliorates glycemic index, lipid profile and enzymatic activities in serum, heart and liver tissues of rats fed with a combination of hypercaloric diet and chronic ethanol consumption.","authors":"Luiz Gustavo A Chuffa,&nbsp;Beatriz A Fioruci-Fontanelli,&nbsp;Juliana G Bordon,&nbsp;Rafaelle B Pires,&nbsp;Camila P Braga,&nbsp;Fábio R F Seiva,&nbsp;Ana Angélica H Fernandes","doi":"","DOIUrl":"","url":null,"abstract":"<p><p>Alcoholism and obesity are strongly associated with several disorders including heart and liver diseases. This study evaluated the effects of rutin treatment in serum, heart and liver tissues of rats subjected to a combination of hypercaloric diet (HD) and chronic ethanol consumption. Rats were divided into three groups: Control: rats fed a standard diet and drinking water ad libitum; G1: rats fed the HD and receiving a solution of 10% (v/v) ethanol; and G2: rats fed the HD and ethanol solution, followed by injections of 50 mg/kg(-1) rutin as treatment. After 53 days of HD and ethanol exposure, the rutin was administered every three days for nine days. At the end of the experimental period (95 days), biochemical analyses were carried out on sera, cardiac and hepatic tissues. Body weight gain and food consumption were reduced in both the G1 and G2 groups compared to control animals. Rutin effectively reduced the total lipids (TL), triglycerides (TG), total cholesterol (TC), VLDL, LDL-cholesterol and glucose levels, while it increased the HDL-cholesterol in the serum of G2 rats, compared to G1. Although rutin had no effect on total protein, albumin, uric acid and cretinine levels, it was able to restore serum activities of alkaline phosphatase (ALP), lactate dehydrogenase (LDH), aspartate aminotransferase (AST), alanine aminotransferase (ALT) and creatine kinase (CK) in animals fed HD and receiving ethanol. Glycogen stores were replenished in both hepatic and cardiac tissues after rutin treatment. Moreover, rutin consistently reduced hepatic levels of TG and TC and cardiac AST, ALT and CK activities. Thus, rutin treatment was effective in reducing the risk factors for cardiac and hepatic disease caused by both HD and chronic ethanol consumption.</p>","PeriodicalId":13281,"journal":{"name":"Indian journal of biochemistry & biophysics","volume":"51 3","pages":"215-22"},"PeriodicalIF":1.4,"publicationDate":"2014-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32653617","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A comparative 2D QSAR study on a series of hydroxamic acid-based histone deacetylase inhibitors vis-à-vis comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA). 对一系列羟肟酸基组蛋白去乙酰化酶抑制剂进行二维QSAR对比研究-à-vis比较分子场分析(CoMFA)和比较分子相似性指数分析(CoMSIA)。
IF 1.4 4区 生物学
Anubha Bajpai, Neeraj Agarwal, Satya P Gupta
{"title":"A comparative 2D QSAR study on a series of hydroxamic acid-based histone deacetylase inhibitors vis-à-vis comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA).","authors":"Anubha Bajpai,&nbsp;Neeraj Agarwal,&nbsp;Satya P Gupta","doi":"","DOIUrl":"","url":null,"abstract":"<p><p>A quantitative structure-activity relationship (QSAR) study was performed on a series of indole amide analogues reported by Dai et al. [Bioorg Med Chem Lett (2003), 13, 1897-1901] to act as histone deacetylase (HDAC) inhibitors. The multiple regression analysis (MRA) revealed a model showing the significant dependence of the activity on molar refractivity (MR) and global topological charge index (GTCI) of the compounds, suggesting that inhibition of the HDAC by this series of compounds might involve the dispersion interaction with the receptor, where charge transfer between pairs of atoms might greatly help to polarize the molecule. The MRA results were then compared with those obtained by Guo et al. [Bioorg Med Chem (2005), 13, 5424-5434] by comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA). It was found that MRA gave as good results and had as good predictive ability as CoMFA and CoMSIA. Besides, MRA was also able to throw the light on the physicochemical properties of the molecules that were involved in drug-receptor interactions, while CoMFA and CoMSIA could not. The dispersion interaction between the molecule and the active site of the receptor is suggested to be the main interaction.</p>","PeriodicalId":13281,"journal":{"name":"Indian journal of biochemistry & biophysics","volume":"51 3","pages":"244-52"},"PeriodicalIF":1.4,"publicationDate":"2014-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32653621","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Applications of complementarity plot in error detection and structure validation of proteins. 互补图在蛋白质错误检测和结构验证中的应用。
IF 1.4 4区 生物学
Sankar Basu, Dhananjay Bhattacharyya, Rahul Banerjee
{"title":"Applications of complementarity plot in error detection and structure validation of proteins.","authors":"Sankar Basu,&nbsp;Dhananjay Bhattacharyya,&nbsp;Rahul Banerjee","doi":"","DOIUrl":"","url":null,"abstract":"<p><p>The complementarity plot (CP) is based on packing and electrostatics of amino acid residues buried within globular proteins and is a sensitive indicator of the harmony or disharmony of interior residues with regard to short and long range forces sustaining the native fold. As a structure validation tool, it has already been reported to be effective in detecting erroneous side-chain torsions in obsoleted structures. The current study describes the design of several local and global scores based on CP and surveys their utilities in discriminating between obsolete structures and their corresponding upgraded counterparts, detection of wrong rotamer assignments and in identifying packing anomalies. CPs are especially effective in the detection of low-intensity errors (in main-chain geometrical parameters) diffused over the entire polypeptide chain. The methodology is also used to confirm the integral role played by strategic deviations (in main-chain geometrical parameters) in maintaining fold integrity, as reversal to their corresponding ideal values (either unimodal or conformation dependent) lead to large-scale structural distortions. A special feature of this validation tool is to signal unbalanced partial charges within protein interiors. The application of CP in protein homology modeling and protein design is also demonstrated.</p>","PeriodicalId":13281,"journal":{"name":"Indian journal of biochemistry & biophysics","volume":"51 3","pages":"188-200"},"PeriodicalIF":1.4,"publicationDate":"2014-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32652668","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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