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| 1 | Structural basis of SARS-CoV-2 3CL^pro and anti-COVID-19 drug discovery from medicinal plants显示文摘The recent pandemic of coronavirus disease 2019(COVID-19)caused by SARS-CoV-2 has raised global health concerns.The viral 3-chymotrypsin-like cysteine protease(3CL^pro)enzyme controls coronavirus replication and is essential for its life cycle.3CL^pro is a proven drug discovery target in the case of severe acute respiratory syndrome coronavirus(SARS-CoV)and Middle East respiratory syndrome coronavirus(MERS-CoV).Recent studies revealed that the genome sequence of SARS-CoV-2 is very similar to that of SARS-CoV.Therefore,herein,we analysed the 3CL^pro sequence,constructed its 3D homology model,and screened it against a medicinal plant library containing 32,297 potential anti-viral phytochemicals/traditional Chinese medicinal compounds.Our analyses revealed that the top nine hits might serve as potential anti-SARS-CoV-2 lead molecules for further optimisation and drug development process to combat COVID-19. | Muhammad Tahir ul Qamar Safar MAlqahtani Mubarak AAlamri Ling-Ling Chen | 2020 | Journal of Pharmaceutical Analysis2020，10，4： | 29 |
| 2 | Sugar beet yield and industrial sugar contents improved by potassium fertilization under scarce and adequate moisture conditions显示文摘Sugar beet(Beta vulgaris L.) is an industrial crop, grown worldwide for sugar production. In Pakistan, sugar is mostly extracted from sugarcane, soil and environmental conditions are equally favorable for sugar beet cultivation. Beet sugar contents are higher than sugarcane sugar contents, which can be further increased by potassium(K) fertilization. Total K concentration is higher in Pakistani soils developed from mica minerals, but it does not represent plant available K for sustainable plant growth. A pot experiment was conducted in the wire-house of Institute of Soil and Environmental Sciences at University of Agriculture Faisalabad, Pakistan. K treatments were the following: no K(K_0), K application at 148 kg ha^(–1)(K_1) and 296 kg ha^(–1)(K_2). Irrigation levels were used as water sufficient at 60% water holding capacity and water deficient at 40% water holding capacity. The growth, yield and beet quality data were analyzed statistically using LSD. The results revealed that increase in the level of K fertilization at water sufficient level significantly increased plant growth, beet yield and industrial beet sugar content. The response of K fertilization under water deficient condition was also similar, however overall sugar production was less than that in water sufficient conditions. It is concluded from this study that K application could be used not only to enhance plant growth and beet yield but also enhance beet sugar content both under water-deficient as well as water-sufficient conditions. | Muhammad Umair Mubarak Muhammad Zahir Sagheer Ahmad Abdul Wakeel | 2016 | Journal of Integrative Agriculture2016，15，11： | 4 |
| 3 | High-dose-rate intraluminal brachytherapy during preoperative chemoradiation for locally advanced rectal cancers显示文摘AIM:To determine the feasibility and safety of high dose rate intraluminal brachytherapy(HDR-ILBT) boost during preoperative chemoradiation for rectal cancer.METHODS:Between 2008 and 2009,thirty-six patients with locally advanced rectal cancer(≥ T3 or N+),were treated initially with concurrent capecitabine(825 mg/m2 oral twice daily) and pelvic external beam radiotherapy(EBRT)(45 Gy in 25 fractions),then were randomized to group A;HDR-ILBT group(n = 17) to receive 5.5-7 Gy×2 to gross tumor volume(GTV) and group B;EBRT group(n = 19) to receive 5.4 Gy×3 fractions to GTV with EBRT.All patients underwent total mesorectal excision.RESULTS:Grade 3 acute toxicities were registered in 12 patients(70.6%) in group A and in 8(42.1%) in group B.Complete pathologic response of T stage(ypT0) in group A was registered in 10 patients(58.8%) and in group B,3 patients(15.8%) had ypT0(P < 0.0001).Sphincter preservation was reported in 6/9 patients(66.7%) in group A and in 5/10 patients(50%) in group B(P < 0.01).Overall radiological response was 68.15% and 66.04% in Group A and B,respectively.During a median follow up of 18 mo,late grade 1 and 2 sequelae were registered in 3 patients(17.6%) and 4 patients(21.1%) in the groups A and B,respectively.CONCLUSION:HDR-ILBT was found to be effective dose escalation technique in preoperative chemoradiation for rectal cancers,with higher response rates,downstaging and with manageable acute toxicities. | Mutahir Ali Tunio Mansoor Rafi Altaf Hashmi Rehan Mohsin Abdul Qayyum Mujahid Hasan Amjad Sattar Muhammad Mubarak | 2010 | World Journal of Gastroenterology2010，16，35： | 3 |
| 4 | Genome-wide association analysis for stripe rust resistance in spring wheat(Triticum aestivum L.) germplasm显示文摘Stripe rust is a continuous threat to wheat crop all over the world.It causes considerable yield losses in wheat crop every year.Continuous deployment of adult plant resistance(APR)genes in newly developing wheat cultivars is the most judicious strategy to combat this disease.Herein,we dissected the genetics underpinning stripe rust resistance in Pakistani wheat germplasm.An association panel of 94 spring wheat genotypes was phenotyped for two years to score the infestation of stripe rust on each accession and was scanned with 203 polymorphic SSRs.Based on D’measure,linkage disequilibrium(LD)exhibited between loci distant up to 45 c M.Marker-trait associations(MTAs)were determined using mixed linear model(MLM).Total 31 quantitative trait loci(QTLs)were observed on all 21 wheat chromosomes.Twelve QTLs were newly discovered as well as 19 QTLs and 35 previously reported Yr genes were validated in Pakistani wheat germplasm.The major QTLs were QYr.uaf.2 AL and QYr.uaf.3 BS(PVE,11.9%).Dissection of genes from the newly observed QTLs can provide new APR genes to improve genetic resources for APR resistance in wheat crop. | Sher MUHAMMAD Muhammad SAJJAD Sultan Habibullah KHAN Muhammad SHAHID Muhammad ZUBAIR Faisal Saeed AWAN Azeem iqbal KHAN Muhammad Salman MUBARAK Ayesha TAHIR Muhammad UMER Rumana KEYANI Muhammad InamAFZAL Irfan MANZOOR Javed Iqbal WATTOO Aziz-ur REHMAN | 2020 | Journal of Integrative Agriculture2020，19，8： | 0 |
| 5 | Detection of ROS and translocation of ERP-57 in apoptotic induced human neuroblastoma(SH-SY5Y)cells显示文摘Several toxic compounds are known to induce apoptosis in mammalian cell lines.The human neuroblastoma cells(SHSH-SY5Y)were exposed to the phosphatase inhibiting toxin okadaic acid(OA)or hydrogen peroxide(H2O2)to induce apoptosis as well as generate reactive oxygen species(ROS).Mitoxantrone(MXT)was used as a positive control for apoptosis.The SHSH-SY5Y cells were transfected with eukaryotic expression plasmid pHyPer-dMito encoding mitochondrial-targeted fluorescent or pHyPer-dCito encoding cytoplasmic-targeted fluorescent sensor for hydrogen peroxide(HyPer).The ERp57,also called GRP58(Glucose-regulated protein 58),is a stress protein induced in conditions like glucose starvation and viral infection.Recently ERp57 was shown to translocate from the endoplasmatic reticulum to the cell surface in anthracycline-induced apoptotic cells.ERp57 co-translocation together with calreticulin has been suggested to be crucial for recognizing tumor cells to induce immunogenic cell death.ERp57 translocation after exposure to okadaic acid was studied using immunofluorescence and confocal microscopy.These studies indicated that okadaic acid has induced the translocation of ERp57 to the cellular membrane. | ATIF KAMIL MUBARAK ALI KHAN MUHAMMAD AASIM NADIR ZAMAN KHAN RAHAM SHER KHAN MUHSIN JAMAL WAQAR AHMAD MIR AZAM KHAN FAZAL JALIL | 2019 | BIOCELL2019，43，3： | 0 |
| 6 | Discovery of human coronaviruses pan-papain-like protease inhibitors using computational approaches显示文摘The papain-like protease(PLpro)is vital for the replication of coronaviruses(Co Vs),as well as for escaping innate-immune responses of the host.Hence,it has emerged as an attractive antiviral drug-target.In this study,computational approaches were employed,mainly the structure-based virtual screening coupled with all-atom molecular dynamics(MD)simulations to computationally identify specific inhibitors of severe acute respiratory syndrome coronavirus 2(SARS-Co V-2)PLpro,which can be further developed as potential pan-PLprobased broad-spectrum antiviral drugs.The sequence,structure,and functional conserveness of most deadly human Co Vs PLprowere explored,and it was revealed that functionally important catalytic triad residues are well conserved among SARS-Co V,SARS-Co V-2,and middle east respiratory syndrome coronavirus(MERS-Co V).The subsequent screening of a focused protease inhibitors database composed of^7,000 compounds resulted in the identification of three candidate compounds,ADM13083841,LMG15521745,and SYN15517940.These three compounds established conserved interactions which were further explored through MD simulations,free energy calculations,and residual energy contribution estimated by MM-PB(GB)SA method.All these compounds showed stable conformation and interacted well with the active residues of SARS-Co V-2 PLpro,and showed consistent interaction profile with SARS-Co V PLproand MERS-Co V PLproas well.Conclusively,the reported SARS-Co V-2 PLprospecific compounds could serve as seeds for developing potent pan-PLprobased broad-spectrum antiviral drugs against deadly human coronaviruses.Moreover,the presented information related to binding site residual energy contribution could lead to further optimization of these compounds. | Mubarak A.Alamri Muhammad Tahir ul Qamar Muhammad Usman Mirza Safar M.Alqahtani Matheus Froeyen Ling-Ling Chen | 2020 | Journal of Pharmaceutical Analysis2020，10，6： | 0 |
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