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Pharmacotherapeutics and molecular docking studies of alphasynuclein modulators as promising therapeutics for Parkinson’s disease

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BIOCELL 2022年第12期46卷 2681-2694页

作者： RAHAT ALI aftab alam SATYENDRA K.RAJPUT RAZI AHMAD Department of Medical Elementology and Toxicology Jamia HamdardNew Delhi110062India Centre for Interdisciplinary Research in Basic Sciences Jamia Millia IslamiaNew Delhi110025India Department of Pharmaceutical Sciences Gurukul Kangri UniversityUttarakhand249404India Department of Pharmacology HIMSR Jamia HamdardNew Delhi110062India

Parkinson’s disease(PD)is an age-related neurodegenerative ailment that affects dopamine-producing neurons in a specific area of the brain called the substantia nigra of the ventral *** is clinically characterized by movement disorder and marked with unusual synaptic protein alpha-synuclein accumulation in the *** date,only a few Food and Drug Administration(FDA)approved drugs are available on the market for the treatment of ***,these drugs show parasympathomimetic related adverse events and remarkably higher toxicity;hence,it is important to find more efficacious molecules to treat *** our study,We chosen 22 natural compounds as inhibitors that potentially block the alpha-synuclein clump-the pathological hallmark of PD-and provide new avenues for its *** of these molecules exhibited good pharmacokinetic behaviors,making them decisively favorable drug candidates to cure *** docking studies were performed to investigate the binding interactions between natural compounds and alpha-synuclein as anti-Parkinson drug *** the examined compounds,curcumin and piperine emerged as promising phytochemicals with the highest binding affinity,key residual stable bindings and showed a good inhibitory ***,the present study indicates that curcumin and piperine hold the potential to be developed as treatment options against *** validations are needed for insights into their mechanism of action and potential clinical application.

关键词： Parkinson’s disease(PD) Alpha-synuclein Molecular docking and dynamics Anti-Parkinson drug Curcumin Piperine

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Why would sea-level rise for global warming and polar ice-melt?

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Geoscience Frontiers 2019年第2期10卷 481-494页

作者： aftab alam Khan Department of Geology University of Dhaka

Two major causes of global sea level rise such as thermal expansion of the oceans and the loss of landbased ice for increased melting have been claimed by some researchers and recognized by the ***, other climate threat investigators revealed that atmosphere-ocean modeling is an imperfect representation, paleo-data consist of proxy climate information with ambiguities, and modern observations are limited in scope and accuracy. It is revealed that global warming and polar ice-melt although a reality would not contribute to any sea level rise. Floating-ice of the polar region on melting would reoccupy same displaced volume by floating ice-sheets. Land-ice cover in the polar region on melting can reduce load from the crust to activate elastic rebound that would raise land for its isostatic *** characteristics would not contribute to sea level rise. Equatorial bulge, polar flattening, elevation difference of the spheroidal surface between equator and pole with lower in the pole, strong gravity attraction of the polar region and week gravity attraction of the equatorial region, all these phenomena would play dominant role in preventing sea level rise. Palaeo-sea level rise and fall in macro-scale(10-100 m or so) were related to marine transgression and regression in addition to other geologic events like converging and diverging plate tectonics, orogenic uplift of the collision margin, basin subsidence of the extensional crust, volcanic activities in the oceanic region, prograding delta buildup, ocean floor height change and sub-marine mass avalanche. This study also reveals that geophysical shape, gravity attraction and the centrifugal force of spinning and rotation of the earth would continue acting against sea level rise.

关键词： Global warming Polar ice-melt Equatorial bulge Polar flattening Geologic events Sea level rise

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A Review of the Bentong-Raub Suture vis-à-vis New Insight of the Tectonic Evolution of Malay Peninsula,South East Asia

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Acta Geologica Sinica(English Edition) 2016年第5期90卷 1865-1886页

作者： aftab alam KHAN Mustaffa Kamal SHUIB Department of Geology University of Malaya Department of Geology University of Dhaka

Genesis of the so-called Bentong-Raub Suture of Malay Peninsula does not fit to the model of subduction-related *** has evolved from transpression tectonics resulting closure and exhumation of the inland basin which underwent extensive back-arc extension during *** having similar thickness（average-35 km） below entire Malay Peninsula nagate collision of two separate continental blocks rather supports single continental block that collided with South China continental block during *** subduction of intervening sea（Proto South China Sea） below Malay Peninsula resulted in widespread I- and S-Type granitization and volcanism in the back-arc basins during *** occurrence of Permo-Triassic Pahang volcanics of predominantly rhyolitic tuff suggest its derivation from back-arc ***-arc extension,basin development and sedimentation of the central belt of the peninsula continued until Cretaceous.A-Type granite of metaluminous to peraluminous character indicates their emplacement in an intraplate tectonic *** Peninsula suffered an anticlockwise rotation due to the rifting of Luconia-Dangerous Grounds from the east Asia in the Late Cretaceous-Early *** ductile and brittle deformation including crustal segmentation,pull-apart fracturing and faulting occurred during the closure and exhumation of the basins developed in the peninsula during Late Cretaceous-Early *** shortening in the central belt of the peninsula has been accomodated through strike-slip displacement,shearing and uplift.

关键词： Bentong-Raub fault intra-plate tectonics Triassic back-arc extension Cretaceoustranspression Malay Peninsula

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Repurposing of FDA-Approved drugs to predict new inhibitors against key regulatory genes in Mycobacterium tuberculosis

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BIOCELL 2021年第6期45卷 1569-1583页

作者： XINJUN YANG aftab alam NAIYAR IQBAL KHALID RAZA Department of Pediatrics 3201 HospitalHanzhongChina Centre for Interdisciplinary Research in Basic Sciences Jamia Millia IslamiaNew DelhiIndia Department of Computer Science and Information Technology Maulana Azad National Urdu UniversityHyderabadIndia Department of Computer Science Jamia Millia IslamiaNew DelhiIndia

Tuberculosis(TB)disease has become one of the major public health concerns globally,especially in developing *** research studies have already been carried out for TB,but we are still struggling for a complete and quick cure for *** progress of Mycobacterium tuberculosis(MTB)strains resistant to existing drugs makes its cure and control very ***,it is the need of the hour to search for newer and effective drugs that can inhibit an increasing number of putative drug *** applied the drug repurposing concept to identify promising FDAapproved drugs against five key-regulatory genes(FurB,IdeR,KstR,MosR,and RegX3)of the *** FDA drugs were virtually screened using a structure-based approach by GOLD versions 5.2,and subjected to rigid docking followed by an induced-fit docking algorithm to enhance the accuracy and prioritize drugs for *** found 11 candidate drugs(including ZINC03871613,ZINC03871614,ZINC03871615 as top scorer candidate drugs)that were frequently present within the top 20 GoldScore ranks and showed promising ***,molecular dynamics simulation was performed to monitor the effect of the top scorer drugs on the structural stability of all the five targets,indicating that inhibitors preferentially bind to the active site of the *** work suggests that these known FDA-approved drugs open new application domains in the form of anti-tuberculosis agents.

关键词： Virtual screening Molecular docking MD simulation PPI network

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A comparative in vitro study on the effect of SGLT2 inhibitors on chemosensitivity to doxorubicin in MCF-7 breast cancer cells

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Oncology Research 2024年第5期32卷 817-830页

作者： SHAHID KARIM ALANOUD NAHER ALGHANMI MAHA JAMAL HUDA ALKREATHY alam JAMAL HIND A.ALKHATABI MOHAMMED BAZUHAIR aftab AHMAD Department of Clinical Pharmacology Faculty of MedicineKing Abdulaziz UniversityJeddahSaudi Arabia Department of Biochemistry Faculty of ScienceKing Abdulaziz UniversityJeddahSaudi Arabia Department of Biochemistry College of ScienceUniversity of JeddahJeddah21959Saudi Arabia Health Information Technology Department The Applied CollegeKing Abdulaziz UniversityJeddahSaudi Arabia Pharmacovigilance and Medication Safety Unit Center of Research Excellence for Drug Research and Pharmaceutical IndustriesKing Abdulaziz UniversityJeddahSaudi Arabia

Cancer frequently develops resistance to the majority of chemotherapy *** study aimed to examine the synergistic cytotoxic and antitumor effects of SGLT2 inhibitors,specifically Canagliflozin(CAN),Dapagliflozin(DAP),Empagliflozin(EMP),and Doxorubicin(DOX),using in vitro *** precise combination of CAN+DOX has been found to greatly enhance the cytotoxic effects of doxorubicin(DOX)in MCF-7 ***,it was shown that cancer cells exhibit an increased demand for glucose and ATP in order to support their ***,when these medications were combined with DOX,there was a considerable inhibition of glucose consumption,as well as reductions in intracellular ATP and lactate ***,this effect was found to be dependent on the dosages of the *** addition to effectively inhibiting the cell cycle,the combination of CAN+DOX induces substantial modifications in both cell cycle and apoptotic gene *** work represents the initial report on the beneficial impact of SGLT2 inhibitor medications,namely CAN,DAP,and EMP,on the responsiveness to the anticancer properties of *** underlying molecular mechanisms potentially involve the suppression of the function of SGLT2.

关键词： SGLT2 Cancer Cytotoxicity ATP Cell cycle

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Quantitative estimation of hesperidin by HPTLC in different varieties of citrus peels

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Asian Pacific Journal of Tropical Biomedicine 2014年第4期4卷 262-266页

作者： Prawez alam aftab alam Khalid Anwer Saleh I Alqasoumi Department of Pharmacognosy College of PharmacySalman Bin Abdulaziz University Department of Pharmaceutics College of PharmacySalman Bin Abdulaziz University Department of Pharmacognosy College of PharmacyKing Saud University

Objective:To develop a simple,selective,sensitive and accurate high-performance thin layer chromatography(HPTLC)method to determine the quantity of hesperidin in different varieties of citrus ***:The method was carried out in aluminum-backed silica gel 60 F_(254)plates with ethyl acetate-methanol-water 15:3:2(%,v/v)as mobile ***:A compact band was obtained for hesperidin at R_f value of(0.40±0.04).The calibration plot was linear in the range of 100-800 ng/spot of hesperidin and the correlation coefficient of 0.9986was indicative of good linear dependence of peak area on *** of detection(8.87ng/spot),limit of quantification(23.21 ng/spot),accuracy(less than 2%)and recovery(ranging from98.55-99.38)were found ***:The method developed can be used for routine analysis of hesperidin in crude drug as well as in herbal and pharmaceutical dosage form containing citrus fruits as an ingredient.

关键词： HPTLC Citrus Hesperidin

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Pharmacokinetic interaction of Acacia catechu with CYP1A substrate theophylline in rabbits

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Journal of Traditional Chinese Medicine 2015年第5期35卷 588-593页

作者： Abdullah Mohammed AI-Mohizea Mohammad Raish Abdul Ahad Fahad Ibrahim AI-Jenoobi Mohd aftab alam Department of Pharmaceutics College of PharmacyKing Saud University

OBJECTIVE:To investigate the effect of black catechu(BC) on the pharmacokinetics of theophylline(CYP1A2 substrate,with narrow therapeutic index)in ***:In the present investigation the effect of BC on the pharmacokinetics of theophylline,a CYP1A2 substrate was *** the study,BC(264 mg/kg,p.o.) or saline(control group) was given to rabbits for 7 consecutive days and on the 8^(th)day theophylline(16 mg/kg) was administered orally one hour after BC or saline *** samples were withdrawn at different time intervals(0.5,1,1.5,2,3,4,6,8,12,24 and 36 h) from the marginal ear ***:The pretreatment of rabbits with BC resulted in a significant increase in maximum blood concentration,time of peak concentration and area under the concentration time profile curve until last observation which was about 41.32%,35.71%and 15.03%,*** decreases in clearance,volume of distribution,and half-life were *** is suggested that BC pretreatment decreases the CYP1 A metabolic activity leading to increase in bioavailability and decrease in oral clearance of theophylline,which may be due to inhibition of CYP1 ***:BC can significantly alter theophylline pharmacokinetics in vivo possibly due to inhibition of CYP1 A and P-glycoprotein *** on these results,precaution should be exercised when administering BC with CYP1 A substrate.

关键词：药代动力学茶碱家兔相互作用底物 CYP1A2 血药浓度生理盐水

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AMachine Learning Approach to User Profiling for Data Annotation of Online Behavior

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Computers, Materials & Continua 2024年第2期78卷 2419-2440页

作者： Moona Kanwal Najeed AKhan aftab A.Khan Computer Science and Information Technology Department NED University of Engineering and TechnologyKarachiPakistan Computer Engineering Department Sir Syed University of Engineering and TechnologyKarachiPakistan College of Education Health and Human ServicesLongwood UniversityFarmvilleVAUSA

The user’s intent to seek online information has been an active area of research in user *** profiling considers user characteristics,behaviors,activities,and preferences to sketch user intentions,interests,and *** user characteristics can help capture implicit and explicit preferences and intentions for effective user-centric and customized content *** user’s complete online experience in seeking information is a blend of activities such as searching,verifying,and sharing it on social ***,a combination of multiple behaviors in profiling users has yet to be *** research takes a novel approach and explores user intent types based on multidimensional online behavior in information *** research explores information search,verification,and dissemination behavior and identifies diverse types of users based on their online engagement using machine *** research proposes a generic user profile template that explains the user characteristics based on the internet experience and uses it as ground truth for data *** feedback is based on online behavior and practices collected by using a survey *** participants include both males and females from different occupation sectors and different *** data collected is subject to feature engineering,and the significant features are presented to unsupervised machine learning methods to identify user intent classes or profiles and their *** techniques are evaluated,and the K-Mean clustering method successfully generates five user groups observing different user characteristics with an average silhouette of 0.36 and a distortion score of *** average is computed to identify user intent type *** user intent classes are then further generalized to create a user intent template with an Inter-Rater Reliability of 75%.This research successfully extracts different user types based on th

关键词： User intent cluster user profile online search information sharing user behavior search reasons

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Theoretical and experimental study on lipophilicity and wound healing activity of ginger compounds

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Asian Pacific Journal of Tropical Biomedicine 2014年第4期4卷 329-333页

作者： Mohammed Afroz Bakht Mohammed F.Alajmi Perwez alam aftab alam Prawez alam Tariq Mohammed Aljarba Department of Pharmaceutical Chemistry College of PharmacySalman Bin AbdulAziz University Department of Pharmacognosy College of PharmacyKing Saud University Department of Pharmacognosy College of PharmacySalman Bin AbdulAziz University

Objective:To correlate the chromatographic and computational method to calculate lipophilicity of selected ginger compounds and to observe the effects of log P on wound ***:Mixtures of acetonitrile and water with acetonitrile content between 95%and 50%v/v in 5%increments were kept separately in 10 different chromatographic chambers,saturated with solvent for 2 *** were observed under UV light atλ=254 nm p-anisaldehyde used as a spraying reagent Theoretical calculation was done using the Alogps 2.1 online program at ***/lab/*** percentage wound contraction,five groups of animal(mice)(25-30 g)of either sex were *** were created on dorsal surface of animals using toothed forceps,scalpel and pointed *** wound areas were calculated using vernier *** making wound mice were orally administered 35 mg/kg 6-shogoal,6-gingerol,8-gingerol and 10-gingerol *** E as the control group received tap ***:The Iipophilicity values determined in thin layer chromatography were correlated with the theoretically calculated various log P by linear regression *** correlations were found between log P values calculated by software program and the experimental reversedphase thin-layer chromatography *** of wound healing property of ginger compounds is directly dependent on lipophilieity *** lipophilic compound has highest ***:Experimentally determined lipophilieity(R_(MO))values were correlated with log P determined by software's and found ***(R_(MO)is a useful parameter for the determination and prediction of biological activity of ginger compounds.

关键词： lipophilicity RP-TLC RMO Calculated partition coefficient Wound healing

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Antioxidant potential of Rumex vesicarius L.:in vitro approach

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Asian Pacific Journal of Tropical Biomedicine 2014年第7期4卷 538-544页

作者： Tajdar Husain Khan Majid Ahmad Ganaie Nasir Ali Siddiqui aftab alam Mohd Nazam Ansari Department of Pharmacology College of Pharmacy.Salman Bin Abdulaziz University Department of Pharmacognosy College of PharmacyKing Saud University Department of Pharmacognosy.College of Pharmacy Salman Bin Abdulaziz University

Objective:To assess in-vitro antioxidant activity of different fraction and perform high performance thin layer chromatography fingerprint analysis of most active fraction of Rumex vesicarius L.(***).Methods:In the present study,acetone,ethyl acetate,n-butanol,and methanol extracts of *** were evaluated for radical scavenging activity by studying the inhibition of the level of lipid peroxidation induced by Fe(++)/ascorbate,DNA sugar damage,scavenging of hydrogen peroxide,diphenylphosphine DPPH radical scavenging activity,total phenolic content,total flavonoids content and total *** performance thin layer chromatography finger print profiling of *** *** also ***:Lipid peroxidation induced by the iron/ascorbate system,hydrogen peroxide,diphenylphosphine and DNA sugar damage were inhibited by the addition of different extract of *** them,methanolic extract showed maximum *** methanolic extract showed the highest total phenolic,total flavonoids and total proanthocyanidin ***:The results suggest that the extracts can be a vital source of phytochemical antioxidants.

关键词： Rumex vesicarius L. DNA sugar damage DPPH antioxidant HPTLC

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