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A comprehensive analysis of the role of molecular docking in the development of anticancer agents against the cell cycle CDK enzyme

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BIOCELL 2023年第4期47卷 707-729页

作者： PRIYANKA SOLANKI NISARG rana PRAKASH C.JHA ANU MANHAS Department of Chemistry Pandit Deendayal Energy UniversityGandhinagar382426India School of Applied Material Sciences Central University of GujaratGandhinagar382030India

Cancer is considered one of the most lethal diseases responsible for causing deaths *** there have been many breakthroughs in anticancer development,cancer remains the major cause of death *** this regard,targeting cancer-causing enzymes is one of the efficient therapeutic *** functions like cell cycle,transcription,metabolism,apoptosis,and other depend primarily on cyclin-dependent kinases(CDKs).These enzymes help in the replication of DNA in the normal cell cycle process,and deregulation in the functioning of any CDK can cause abnormal cell growth,which leads to *** review is focused on anticancer drug discovery against cell cycle CDK enzyme using an in silico technique,i.e.,molecular docking *** docking helps in deciphering the key interactions formed within the inhibitor and the respective *** concise study provides an overview of the most current in silico research advancements made in the field of anticancer drug *** findings presented in the current review article can help in understanding the nature of inhibitor-target interactions and provide information on the structural and molecular prerequisites for the inhibition of cell cycle CDKs.

关键词： CDKs Cancer Molecular docking

Effects of conservation measures on crop diversity and their implications for climate-resilient livelihoods: the case of Rupa Lake Watershed in Nepal

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Journal of Mountain Science 2022年第4期19卷 945-957页

作者： BAI Yun-li FU Chao THAPA Balaram rana Ram Bahadur ZHANG Lin-xiu Key Laboratory of Ecosystem Network Observation and Modeling Institute of Geographic Sciences and Natural Resources ResearchChinese Academy of SciencesBeijing 100101China United Nations Environment Programme-International Ecosystem Management Partnership(UNEP-IEMP) Beijing 100101China Local Initiatives for Biodiversity Research and Development(LI-BIRD)PO Box 324Pokhara 33700Nepal

Agrobiodiversity conservation is vital for achieving sustainability, but empirical studies on the effects of different practices or measures on crop diversity are rare. This study aims to estimate the effects of raising conservation awareness(RCA),building diversity blocks(BDB), and their combination on crop diversity among 240 randomly selected households surrounding the Rupa Lake Watershed in Nepal. Based on descriptive analysis and multiple regression models, the results indicate that the two single measures had no significant effect on the numbers of crop species and varieties grown by households in 2018. However, the combination of RCA and BDB had a significantly positive effect on the number of crop varieties, especially for grain and vegetable crops. Considering that these crops are essential in the daily lives of local people, the results indicate that a strategy that combines both awareness raising and on-farm conservation measures can generate higher crop diversity and better serve the climate-resilient livelihoods of people in mountainous areas.

关键词： Agrobiodiversity Conservation measures Crop species and varieties Rupa Lake

A Mathematical Approach for Generating a Highly Non-Linear Substitution Box Using Quadratic Fractional Transformation

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Computers, Materials & Continua 2023年第11期77卷 2565-2578页

作者： Abid Mahboob Muhammad Asif rana Muhammad Zulqarnain Imran Saddique Hijaz Ahmad Sameh Askar Department of Mathematics Division of Science and TechnologyUniversity of EducationLahorePakistan Department of Mathematics University of Management and TechnologySialkot Campus51310Pakistan School of Mathematical Sciences Zhejiang Normal UniversityJinhua321004China Department of Mathematics University of Management and TechnologyLahore54770Pakistan Section of Mathematics International Telematic University UninettunoCorso Vittorio Emanuele IIRoma39-00186Italy Department of Statistics and Operations Research College of ScienceKing Saud UniversityP.O.Box 2455Riyadh11451Saudi Arabia

Nowadays,one of the most important difficulties is the protection and privacy of confidential *** address these problems,numerous organizations rely on the use of cryptographic techniques to secure data from illegal activities and *** cryptographic ciphers use the non-linear component of block cipher to ensure the robust encryption process and lawful decoding of plain data during the decryption *** the designing of a secure substitution box(S-box),non-linearity(NL)which is an algebraic property of the S-box has great ***,the main focus of cryptographers is to achieve the S-box with a high value of *** this suggested study,an algebraic approach for the construction of 16×16 S-boxes is provided which is based on the fractional transformation Q(z)=1/α(z)^(m)+β(mod257)and finite *** technique is only applicable for the even number exponent in the range(2-254)that are not multiples of ***,we choose a quadratic fractional transformation,swap each missing element with repeating elements,and acquire the initial *** the second stage,a special permutation of the symmetric group S256 is utilized to construct the final S-box,which has a higher NL score of 112.75 than the Advanced Encryption Standard(AES)S-box and a lower linear probability score of *** addition,a tabular and graphical comparison of various algebraic features of the created S-box with many other S-boxes from the literature is provided which verifies that the created S-box has the ability and is good enough to withstand linear and differential *** different analyses,it is ensured that the proposed S-boxes are better than as compared to the existing *** these S-boxes can be utilized in the security of the image data and the text data.

关键词： Block cipher S-box data security fractional transformation

Groundwater arsenic poisoning in a primary educational institution:health risks to school-going children

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Acta Geochimica 2022年第6期41卷 1069-1082页

作者： Md.Sohel rana Md.Jahangir Alam MdAbu Musa Sazal Kumar Md.Aminur Rahman Zonal Laboratory Department of Public Health Engineering(DPHE)RangpurBangladesh Department of Chemistry Carmichael CollegeRangpurBangladesh Department of Applied Chemistry and Chemical Engineering Islamic UniversityKushtia7003Bangladesh School of Environmental and Life Sciences The University of NewcastleCallaghanNSW2308Australia Global Centre for Environmental Remediation(GCER) College of EngineeringScience and EnvironmentThe University of NewcastleCallaghanNSW2308Australia Zonal Laboratory Department of Public Health Engineering(DPHE)Jashore-7400Bangladesh

This study aimed to estimate arsenic(As)and iron(Fe)content in tubewell water(n=58)in primary educational institutions and subsequently assess the health risks to school-going *** described that the As concentration ranged between 0.002 and 0.994 mg L^(-1)with an average value of 0.044 mg L^(-1);which exceeded the World Health Organization(WHO)provisional guideline value of 0.01 mg L^(-1).Similarly,the Fe content varied from 0.05 to 10 mg L^(-1)averaging to 2.84 mg L^(-1).Samples of 55.17%contained a greater As concentration than0.01 mg L^(-1)and 18.97%greater than Bangladesh drinking water quality(BDWQ)standard of 0.05 mg L^(-1),***,75.86%of samples contained a higher Fe concentration than the maximum Bangladesh permissible limit of 1 mg L^(-1).Health risk assessment indicated that girls are more vulnerable than boys *** average hazard quotients(HQs)for As intake through drinking water were 6.01±17.85 and 7.41±22.03 for boys and girls,respectively,implying non-carcinogenic health risks to both *** HQs for Fe intake were less than threshold value of 1 indicating no health issues may arise from Fe intake ***,consumption of As and Fe may trigger health risks to students as indicated by the hazard index(HI),which was higher than *** average cancer risk(CR)values for both boys(0.0027±0.008)and girls(0.0033±0.0099)exceeded the threshold limit of 10-6-10-4,suggesting a possibility of lifetime cancer risks to the school-going ***,school authorities should find alternative ways to ensure safe drinking water for school-going children to avoid possible cancer and non-cancer health risks through consumption of As-poisoning water.

关键词： Arsenic Iron Human health risks Groundwater

Deep Learning and Machine Learning-Based Model for Conversational Sentiment Classification

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Computers, Materials & Continua 2022年第8期72卷 2323-2339页

作者： Sami Ullah Muhammad Ramzan Talib Toqir A.rana Muhammad Kashif Hanif Muhammad Awais Department of Computer Science Government College University Faisalabad38000Pakistan Department of Computer Science and IT The University of Lahore54590Pakistan School of Computer Sciences Universiti Sains Malaysia(USM)11800PenangMalaysia Department of Software Engineering Government College University Faisalabad38000Pakistan

In the current era of the internet,people use online media for conversation,discussion,chatting,and other similar *** of such material where more than one person is involved has a spate challenge as compared to other text analysis *** are several approaches to identify users’emotions fromthe conversational text for the English language,however regional or low resource languages have been *** Urdu language is one of them and despite being used by millions of users across the globe,with the best of our knowledge there exists no work on dialogue analysis in the Urdu ***,in this paper,we have proposed a model which utilizes deep learning and machine learning approaches for the classification of users’emotions from the *** accomplish this task,we have first created a dataset for the Urdu language with the help of existing English language datasets for dialogue *** that,we have preprocessed the data and selected dialogues with common *** the dataset is prepared,we have used different deep learning and machine learning techniques for the classification of *** have tuned the algorithms according to the Urdu language *** experimental evaluation has shown encouraging results with 67%accuracy for the Urdu dialogue datasets,more than 10,000 dialogues are classified into five emotions i.e.,joy,fear,anger,sadness,and *** believe that this is the first effort for emotion detection from the conversational text in the Urdu language domain.

关键词： Dialogue analysis conversational opinion mining sentiment analysis sentiment analysis in Urdu language deep learning machine learning

Which are the most favourable conditions for reducing soil CO_(2)emissions with no-tillage?Results from a meta-analysis

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International Soil and Water Conservation Research 2022年第3期10卷 497-506页

作者： Simone Bregaglio Gabriele Mongiano Rossana M.Ferrara Fabrizio Ginaldi Alessandra Lagomarsino Gianfranco rana CREA-Council for Agricultural Research and Economics Research Centre for Agriculture and EnvironmentI-40128BolognaItaly CREA-Council for Agricultural Research and Economics Research Centre for Plant Protection and CertificationSS 11 km 2500I-13100VercelliItaly CREA-Council for Agricultural Research and Economics Research Centre for Agriculture and EnvironmentI-70125BariItaly CREA-Council for Agricultural Research and Economics Research Centre for Agriculture and EnvironmentI-50125FirenzeItaly

No-tillage practices have a recognised beneficial impact on soil and water conservation while reducing erosion processes and enhancing soil organic matter ***,scientists continue to debate the effectiveness of no-tillage in reducing soil carbon dioxide(CO_(2))emissions from *** the same line of inquiry pursued by the authors who reviewed the impact of conservative practices on direct CO_(2)emissions,we applied meta-analytic and machine learning techniques to unravel the effect of no-tillage under contrasting pedo-environmental conditions and agricultural *** analysed fifty-six experimental studies investigating direct soil CO_(2)emissions from no-tillage and conventional tillage practices(102 paired observations),considering pedological(soil texture,soil organic carbon content),environmental(climate type),and management(crop rotation,experiment duration)*** estimated the effect of different practices on the daily amount of soil CO_(2)emissions,and the impact of tillage in the period immediately following the *** main insights of this study are:(i)the conditions leading to the highest reduction of CO_(2)emissions due to no-tillage were long-term experiments(standardised mean differenceβ=0.64)conducted in arid environments(β=0.76)and clay soils(β=0.81),with low organic carbon content(β=0.79)where crop rotations(β=0.65)were performed;(ii)the same conditions were associated with the lowest absolute CO_(2)emissions,irrespective of soil management;(iii)the highest contribution to the variability of absolute soil CO_(2)emissions was associated with soil texture(mean decrease in accuracy of Random Forest models,MDA=4.57),rotation(MDA=3.07),experiment duration(MDA=2.93)and soil organic carbon content(MDA=2.24),rather than to tillage practices;(iv)soil CO_(2)emissions almost doubled in the first day after a tillage event,consistently across studies(p=0.001).This meta-analysis offers quantitative figures on the impact of tillage

关键词： Agricultural soils Greenhouse gases Global warming Net-zero agriculture

Hepatic Histoplasmosis: An Update

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Journal of Clinical and Translational Hepatology 2022年第4期10卷 726-729页

作者： Maimuna Sayeed Md Benzamin Luthfun Nahar Masud rana Aisharza Sultana Aishy Department of Paediatric Gastroenterology&Nutrition Bangabandhu Shiekh Mujib Medical University(BSMMU)DhakaBangladesh Hazi Asmot Ali Medical Centre BhairabKishoregonjDhakaBangladesh Jalalabad Ragib-Rabeya Medical College SylhetBangladesh

Histoplasma capsulatum is the most common cause of en-demic mycosis in developing countries. It is a self-limited and asymptomatic disease in immunocompetent individu-als but remains a frequent cause of opportunistic infection in patients with compromised immune status. Liver in-volvement as a part of disseminated histoplasmosis is well known. However, liver infection as a primary manifestation of histoplasmosis without evidence of primary lung involve-ment is rare. In conclusion, clinicians should be aware of isolated histoplasmosis affecting the hepatobiliary system, and careful evaluation is warranted to confirm the diagno-sis. Given the appropriate clinical context, histoplasmosis should be considered in both immunocompetent and immu-nocompromised patients, regardless of pulmonary symp-toms, in non endemic as well as endemic areas.

关键词： Histoplasma capsulatum Histoplasmosis Hepatic manifestation Mycosis

Lowering fasting blood glucose with non-dialyzable material of cranberry extract is dependent on host genetic background,sex and diet

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Animal Models and Experimental Medicine 2023年第3期6卷 196-210页

作者： Fatima Amer-Sarsour rana Tarabeih Itzhak Ofek Fuad A.Iraqi Department of Clinical Microbiology and Immunology Sackler Faculty of MedicineTel-Aviv UniversityTel-AvivIsrael

Background:Type 2 diabetes(T2D)is a polygenic metabolic disease,character-ized by high fasting blood glucose(FBG).The ability of cranberry(CRN)fruit to regulate glycemia in T2D patients is well ***,a cohort of 13 lines of the genetically diverse Collaborative Cross(CC)mouse model was assessed for the effect of non-dialyzable material(NDM)of cranberry extract in lowering fasting blood ***:Eight-week-old mice were maintained on either a standard chow diet(con-trol group)or a high-fat diet(HFD)for 12 weeks,followed by injections of intraperi-toneal(IP)NDM(50 mg/kg)per mouse,three times a week for the next 6 *** FBG(mg/dl)was measured bi-weekly and percentage changes in FBG(%FBG)between weeks 0 and 12 were ***:Statistical analysis showed a significant decrease in FBG between weeks 0 and 12 in male and female mice maintained on ***,a non-significant in-crease in FBG values was observed in male and female mice maintained on HFD dur-ing the same *** administration of NDM during the following 6 weeks,the results show a variation in significant levels of FBG lowering between lines,male and female mice and under the different ***:The results suggest that the efficacy of NDM treatment in lowering FGB depends on host genetic background(pharmacogenetics),sex of the mouse(phar-macosex),and diet(pharmacodiet).All these results support the need for follow-up research to better understand and implement a personalized medicine approach/uti-lization of NDM for reducing FBG.

关键词： chow diet(CHD) collaborative cross(CC)mouse model fasting blood glucose(FBG) high-fat diet(HFD) non-dialyzable material(NDM)of cranberry extract type 2 diabetes(T2D)

Highly conductive,stretchable,durable,skin-conformal dry electrodes based on thermoplastic elastomer-embedded 3D porous graphene for multifunctional wearable bioelectronics

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Nano Research 2023年第5期16卷 7627-7637页

作者： Shipeng Zhang MdSharifuzzamn SM Sohel rana MdAbu Zahed Sudeep Sharma Youngdo Shin Hyesoo Song Jae Yeong Park Department of Electronic Engineering Kwangwoon University447-1 Wolgye-dongNowon-guSeoul 01897Republic of Korea

Long-term bioelectric potential recording requires highly reliable wearable dry ***-induced graphene(LIG)dry electrodes on polyimide(PI)films are difficult to conform to the skin due to the non-stretchability and low flexibility of PI *** a result,high interface impedance and motion artifacts can occur during body *** LIG to flexible substrates such as polydimethylsiloxane(PDMS)and Ecoflex allows for stretchability and ***,the transfer process produces a significant loss of conductivity destroying the structural function and electron conduction properties of the *** found robust physical and chemical bonding effects between LIG and styrene-ethylene-butylene-styrene(SEBS)thermoplastic elastomer substrates and proposed a simple and robust low-conductivity loss transfer *** embedded LIG onto SEBS to obtain high stretchability,high flexibility,low conductivity *** deposition(EPD)of poly(3,4-ethylenedioxythiophene):polystyrenesulfonic acid(PEDOT:PSS)on LIG forms an ultrathin polymer conductive *** deposition thickness of the conductive polymer is adjusted by controlling the EPD deposition time to achieve optimal conductivity and chemical ***/LIG/PEDOT:PSS(SLPP)dry electrodes have high conductivity(114Ω/Sq),stretchability(300%)and reliability(30%stretch,15,000 cycles),low electrode-skin impedance(14.39 kΩ,10 Hz).The detected biopotential signal has a high signal-to-noise ratio(SNR)of 35.78 ***,the feasibility of SLPP dry electrodes for long-term biopotential monitoring and biopotential-based human-machine interface control of household appliances was verified.

关键词： graphene-embedded elastomers low conductivity loss process highly flexible and stretchable electrophoretic deposition electroencephalography-electrocardiography-electromyography(EEG-ECG-EMG)monitoring