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81.
Md. Khurshid Alam Khan Md. Hamidur Rahaman Md. Imtaiyaz Hassan Tej P. Singh Ali A. Moosavi-Movahedi Faizan Ahmad 《Journal of biological inorganic chemistry》2010,15(8):1319-1329
It has already been shown that the mutant Leu94Gly of horse cytochrome c exists in a molten globule (MG) state. We have carried out studies of reversible folding and unfolding induced by LiCl of
this mutant at pH 6.0 and 25 °C by observing changes in the difference molar absorption coefficient at 402 nm, the mean residue
ellipticity at 222 nm, and the difference mean residue ellipticity at 409 nm. This process is a three-state process when measured
by these probes. The stable folding intermediate state has been characterized by far- and near-UV circular dichroism, tryptophan
fluorescence, 8-anilino-1-naphthalenesulfonic acid binding, and dynamic light scattering measurements, which led us to conclude
that the intermediate is a premolten globule (PMG). Analysis of the reversible unfolding transition curves for the stability
of different states in terms of the Gibbs free energy change at pH 6.0 and 25 °C led us to conclude that the MG state is more
stable than the PMG state by 5.4 ± 0.1 kcal mol−1, whereas the PMG state is more stable than the denatured (D) state by only 1.1 ± 0.1 kcal mol−1. A comparison of the conformational and thermodynamic properties of the LiCl-induced PMG state at pH 6.0 with those of the
PMG state induced by NaCl at pH 2.0 suggests that a similar PMG state is obtained under both denaturing conditions. Differential
scanning calorimetry measurements suggest that heat induces a reversible two-state transition between MG and D states. 相似文献
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Shabhat Rasool Ishfaq Ahmed Rubiya Dar Sheikh Gazalla Ayub Sabia Rashid Tariq Jan Tahir Ahmed Niyaz A. Naikoo Khurshid I. Andrabi 《Biochemical genetics》2013,51(3-4):323-333
This study looks at novel variants of the TGFβ1 gene and their potential association with high myopia in an ethnic population from Kashmir, India. Allele frequencies of 247 Kashmiri subjects (from India) with high myopia and 176 ethnically matched healthy controls were tested for Hardy–Weinberg disequilibrium. The genotype and allele frequencies were evaluated using chi-square or Fisher’s exact tests. One of the three SNPs in codon 10 showed a significant difference between patients and control subjects (rs1982073: p genotype = 0.003, p allele = 0.001). There were no statistically significant differences between patients and control subjects for the other two SNPs, rs1800471 at codon 25 and a novel variant at codon 52. SNP rs1982073, substituting proline with leucine, appeared to be significantly associated with high myopia (p < 0.05). In silico predictions show that substitutions are likely to have an impact on the structure and functional properties of the protein, making it imperative to understand their functional consequences in relation to high myopia. 相似文献
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Shabhat Rasool Rubiya Dar Mosin S Khan Sheikh Gazalla Ayoub Sabia Rashid Muneeb U Rehman Tariq Jan Meenu A Qureshi Khurshid I Andrabi 《International Journal of Biochemistry and Molecular Biology》2021,12(1):35
High Myopia (HM) is a common complex-trait eye disorder. There is essential evidence that genetic factors play a significant role in the development of nonsyndromic high myopia. Identification of susceptibility genes of high myopia will shed light on the pathophysiological mechanism underlying their genesis. This was a case control study examining the prospect of association of DLGAP1, EMILIN2 & MYOM1 genes on MYP2 locus in purely ethnic (Kashmiri) population representing a homogeneous cohort. Genomic DNA was extracted using phenol chloroform and salting out method. Extracted DNA was genotyped for polymorphic variations in MYOM1, EMILIN2 and DLGAP1 genes involving Sanger di-deoxy method. Allele frequencies were tested for Hardy-Weinberg disequilibrium in 224 cases and compared with 220 emmetropic controls. In DLGAP1, documented single nucleotide polymorphism (SNP); Pro517Pro was observed. A previously reported Asn451Asn SNP was observed in EMILIN2. MYOM1 showed five polymorphic variations; two in coding region (Gly333Gly & Gly341Ala) and three intronic (c.1022+23, G>A; c.3418+44 G>T & c.3418+65; C>G). All of the elucidated SNPs were having statistical significant role in increasing or decreasing the risk of disease. Although not statistically significant, a novel Glu507Lys SNP was observed in DLGAP1 (P>0.05). In silico predictions showed MYOM1 Gly341Ala to be benign & tolerated substitution while as DLGAP1 Glu507Lys to be possibly damaging substitution. The studied SNPs followed Over-Dominant, Recessive and Co-Dominant mode of inheritance with specific haplotypes associated with the disease. Our study reveals the involvement of MYP2 locus candidate gene polymorphism in the pathogenesis of HM. 相似文献
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Hafiza Saba Samreen Ajaz Hussain Muhammad Yar Mohammed Battah Alshammari Khurshid Ayub Muhammad Adeel Muhammad Tariq Mehreen Lateef Mohammed Afroz Bakht Faiz Rasool 《Journal of biochemical and molecular toxicology》2023,37(10):e23433
In this work, four fluorinated α, β-unsaturated ketones named as 3-(3-bromophenyl)−1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one (1), 3-(4-methoxyphenyl)−1-(3-(trifluoromethyl)phenyl) prop-2-en-1-one (2), 3-(3-bromo-5-chloro-2-hydroxyphenyl)-1-(3-(trifluoromethyl)phenyl) prop-2-en-1-one (3) and 3-(2-hydroxy-5-methylphenyl)-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one (4) were synthesized by Claisen–Schmidt reaction. The synthesized molecules were then characterized through ultraviolet-visible spectroscopy (UV-Vis), Fourier transform infrared (FTIR), 1H-NMR, 13C-NMR, and mass spectrometry. The antioxidant potential, Urease inhibition, and interaction of compounds 1 – 4 with Salmon sperm DNA were experimentally explored and supported by molecular docking studies. The synthesized compounds strongly interact with SS-DNA through intercalative mode. It was noticed that compound 1 served as potent Urease inhibitor while compound 4 as better antioxidant among synthesized compounds. Moreover, frontier molecular orbitals, nonlinear optical (NLO) properties, natural bond orbitals, molecular electrostatic potential, natural population analysis, and photophysical properties of synthesized compounds were accomplished through density functional theory and time-dependent density functional theory. The band gap of all the compounds have been worked out using Taucs method. In addition to that, a precise comparative account of UV and IR data obtained from theoretical and experimental findings showed good agreement between theoretical and experimental data. The findings of our studies reflected that compounds 1 – 4 possess better NLO properties than Urea standard and the band gap data also reflected their prospective use towards optoelectronic materials. The better NLO behavior of compounds was attributed to the noncentrosymmetric structure of synthesized compounds. 相似文献
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Shabbir Muhammad Santosh Kumar Munusamy Saravanabhavan Khurshid Ayub Mukesh Chaudhary 《Molecular simulation》2018,44(15):1191-1199
In the present investigation, we employ a dual approach consisting of experimental and computational techniques to synthesise and characterise the Schiff-base including the moieties of nitrophenyl (3), nitrothiazole (5) and nitrobenzothiazole (7). The synthesised Schiff bases are confirmed by FT-IR, 1H-NMR and UV-visible spectroscopic techniques. The experimental UV-visible spectroscopic results are compared to the theoretically calculated TD-DFT results. There is a reasonably good agreement between the experimental and the theoretically calculated spectroscopic results. We also calculate the third-order nonlinear optical (NLO) polarizability (γ) of above entitled derivatives using finite field (FF) approach and DFT methods. The compound 7 shows an amplitude of γ as large as 124.15×104 a. u., which is found to be several times larger than that of para-nitroaniline. Moreover, the partial and total density of states (PDOS and TDOS) along with electrostatic potential maps are calculated to get more physical insights into the structure-property relationship and electronic communications between terminal donor and central core acceptor moieties in the synthesised compounds. The present investigation highlights the significance of indigenously synthesised nitrothiazole and nitrobenzothiazole compounds as efficient NLO materials, which may evoke the interest of scientific community in such efficient NLO materials for their potential utilization in device applications. 相似文献
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Billah Md Masum Bhuiyan Md Khurshid Alam Amran Md Iqram Uddin Al Cabral Ana Caroline Garcia Marina Reback D. 《Reviews in Environmental Science and Biotechnology》2022,21(3):747-770
Reviews in Environmental Science and Bio/Technology - Although coastal ecosystems such as mangroves have substantial productive and protective rules, this ecosystem is threatened due to inorganic... 相似文献
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Gulam Rabbani Saeyoung Nate Ahn Hyunhwa Kwon Khurshid Ahmad Inho Choi 《Biochemistry and Biophysics Reports》2021
SARS-CoV-2 has become a big challenge for the scientific community worldwide. SARS-CoV-2 enters into the host cell by the spike protein binding with an ACE2 receptor present on the host cell. Developing safe and effective inhibitor appears an urgent need to interrupt the binding of SARS-CoV-2 spike protein with ACE2 receptor in order to reduce the SARS-CoV-2 infection. We have examined the penta-peptide ATN-161 as potential inhibitor of ACE2 and SARS-CoV-2 spike protein binding, where ATN-161 has been commercially approved for the safety and possess high affinity and specificity towards the receptor binding domain (RBD) of S1 subunit in SARS-CoV-2 spike protein. We carried out experiments and confirmed these phenomena that the virus bindings were indeed minimized. ATN-161 peptide can be used as an inhibitor of protein-protein interaction (PPI) stands as a crucial interaction in biological systems. The molecular docking finding suggests that the binding energy of the ACE2-spike protein complex is reduced in the presence of ATN-161. Protein-protein docking binding energy (-40.50 kcal/mol) of the spike glycoprotein toward the human ACE2 and binding of ATN-161 at their binding interface reduced the biding energy (-26.25 kcal/mol). The finding of this study suggests that ATN-161 peptide can mask the RBD of the spike protein and be considered as a neutralizing candidate by binding with the ACE2 receptor. Peptide-based masking of spike S1 protein (RBD) and its neutralization is a highly promising strategy to prevent virus penetration into the host cell. Thus masking of the RBD leads to the loss of receptor recognition property which can reduce the chance of infection host cells. 相似文献