Works matching IS 0739-1102 AND VI 42 AND IP 1 AND DT 2024

Results: 39

Correction.

Published in:: 2024
Publication type:: Correction Notice

Correction.

Published in:: 2024
Publication type:: Correction Notice

Correction.

Published in:: 2024
Publication type:: Correction Notice

Computational design of scFv anti-receptor binding domain of SARS-CoV-2 spike protein based on antibody S230 anti-SARS-CoV-1.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 22, doi. 10.1080/07391102.2023.2265485

By:

Firdaus, Ade R. R.;
Baroroh, Umi;
Ramdani Tohari, Taufik;
Hardianto, Ari;
Subroto, Toto;
Yusuf, Muhammad

Publication type:

Article

Molecular screening reveals Variolin B as a multitargeted inhibitor of lung cancer: a molecular docking-based fingerprinting and molecular dynamics simulation study.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 11, doi. 10.1080/07391102.2023.2263560

By:

Almasoudi, Hassan H.;
Mashraqi, Mutaib M.;
Alshamrani, Saleh;
Alsalmi, Ohud;
Alharthi, Afaf Awwadh;
Gharib, Amal F.

Publication type:

Article

Fragment-based design and MD simulations of human papilloma virus-16 E6 protein inhibitors.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 288, doi. 10.1080/07391102.2023.2203775

By:

Vemula, Vani;
Marudamuthu, Amarnath Satheesh;
Prasad, Sanjay;
B M, Suman;
S E, Mamatha;
A, Swathi;
Seal, Priyanka;
Alagumuthu, Manikandan

Publication type:

Article

Identification of starvation-mimetic bioactive phytocomponent from Withania somnifera using in-silico molecular modelling and flow cytometry-based analysis for the management of malaria.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 528, doi. 10.1080/07391102.2023.2201855

By:

Pradhan, Deepak;
Biswasroy, Prativa;
Kulkarni, Sharvari;
Taliyan, Rajiv;
Pradhan, Dilip Kumar;
Bhola, Rajesh Kumar;
Mahapatra, Sonali;
Ghosh, Goutam;
Rath, Goutam

Publication type:

Article

Virtual screening and molecular dynamics simulation approach for the identification of potential multi-target directed ligands for the treatment of Alzheimer's disease.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 509, doi. 10.1080/07391102.2023.2201838

By:

Jangid, Kailash;
Devi, Bharti;
Sahoo, Ashrulochan;
Kumar, Vijay;
Dwivedi, Ashish Ranjan;
Thareja, Suresh;
Kumar, Rajnish;
Kumar, Vinod

Publication type:

Article

Paradoxical effect of Aβ on protein levels of ABCA1 in astrocytes, microglia, and neurons isolated from C57BL/6 mice: an in vitro and in silico study to elucidate the effect of Aβ on ABCA1 in the brain cells.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 274, doi. 10.1080/07391102.2023.2201835

By:

Zarezade, Vahid;
Nazeri, Zahra;
Azizidoost, Shirin;
Cheraghzadeh, Maryam;
Babaahmadi-Rezaei, Hossein;
Kheirollah, Alireza

Publication type:

Article

Fascin − F-actin interaction studied by molecular dynamics simulation and protein network analysis.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 435, doi. 10.1080/07391102.2023.2199083

By:

Wu, Xiaodong;
Li, Dajia;
Chen, Yang;
Wang, Liangdong;
Xu, Li-Yan;
Li, En-Min;
Dong, Geng

Publication type:

Article

Discovery of potent DNMT1 inhibitors against sickle cell disease using structural-based virtual screening, MM-GBSA and molecular dynamics simulation-based approaches.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 261, doi. 10.1080/07391102.2023.2199081

By:

Ala, Chandu;
Joshi, Renuka Parshuram;
Gupta, Pragya;
Ramalingam, Sivaprakash;
Sankaranarayanan, Murugesan

Publication type:

Article

Design and synthesis of 2-amino-4,6-diarylpyrimidine derivatives as potent α-glucosidase and α-amylase inhibitors: structure–activity relationship, in vitro, QSAR, molecular docking, MD simulations and drug-likeness studies.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 244, doi. 10.1080/07391102.2023.2198609

By:

Mughal, Ehsan Ullah;
Amjid, Samreen;
Sadiq, Amina;
Naeem, Nafeesa;
Nazir, Yasir;
Alrafai, H. A.;
Hassan, Abeer A.;
Al-Nami, Samar Y.;
Abdel Hafez, Amal A.;
Ali Shah, Syed Wadood;
Ghias, Mehreen

Publication type:

Article

Comparative analysis of SilA-laccase mediated degradation of ciprofloxacin, norfloxacin and ofloxacin and interpretation of the possible catalytic mechanism.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 425, doi. 10.1080/07391102.2023.2197074

By:

Bhatt, Sunidhi;
Choudhary, Priyanka;
Chatterjee, Subhankar;
Akhter, Yusuf

Publication type:

Article

Electronic, mechanical, and thermal properties of zirconium dioxide nanotube interacting with poly lactic-co-glycolic acid and chitosan as potential agents in bone tissue engineering: insights from computational approaches.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 231, doi. 10.1080/07391102.2023.2194006

By:

Almalki, Atiah H.;
Belal, Amany;
Farghali, Ahmed A.;
Mahmoud, Rehab;
Mustafa, F. M.;
Abd El-Mageed, H. R.

Publication type:

Article

Screening of potential phytomolecules against MurG as drug target in nosocomial pathogen Pseudomonas aeruginosa: perceptions from computational campaign.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 495, doi. 10.1080/07391102.2023.2194005

By:

Lokhande, Kiran Bharat;
Pawar, Sarika Vishnu;
Madkaiker, Smriti;
Shrivastava, Ashish;
Venkateswara, Swamy K.;
Nawani, Neelu;
Wani, Minal;
Ghosh, Payel;
Singh, Ashutosh

Publication type:

Article

Synergistic antimicrobial activity, MD simulation studies and crystal structure of natural alcohol motif containing novel substituted cinnamates.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 211, doi. 10.1080/07391102.2023.2194004

By:

Irfan, Iram;
Ali, Asghar;
Ubaid, Ayesha;
Sherwani, Yeshfeen;
Arora, Bhoomika;
Khan, Md. Musawwer;
Joshi, Mukesh C.;
Abid, Mohammad

Publication type:

Article

Computer aided therapeutic tripeptide design, in alleviating the pathogenic proclivities of nocuous α-synuclein fibrils.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 483, doi. 10.1080/07391102.2023.2194003

By:

Chandrasekhar, G.;
Srinivasan, E.;
Nandhini, S.;
Pravallika, G.;
Sanjay, G.;
Rajasekaran, R.

Publication type:

Article

Elucidation of binding mechanism of rhodanine derivative P4OC on bovine serum albumin.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 475, doi. 10.1080/07391102.2023.2194001

By:

Sampath, Sakthiprabha;
Yadav, Sangilimuthu Alagar;
Meti, Manjunath;
Kaveri, Sundaram;
Subban, Ravi;
Subramanyam, Rajagopal

Publication type:

Article

Structural dynamics and functional analysis of Saprolegnia parasitica chitin synthases 5 in a phospholipid bilayer.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 461, doi. 10.1080/07391102.2023.2193993

By:

Biswas, Sourav;
Hossen, Md. Rubel;
Akter, Shaila;
Ali, Md. Ackas;
Halim, Mohammad A.;
Ullah, M. Obayed

Publication type:

Article

Anxiolytic effects of N-(4,5-dihydro-5-oxo-1,2-dithiolo-[4,3,b]-pyrrole-6-yl)-N-methylformamide, a pyrroloformamide isolated from a marine Streptomyces sp., in adult zebrafish by the 5-HT system.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 445, doi. 10.1080/07391102.2023.2193988

By:

Cesário, Hozana Patrícia S. de F.;
Silva, Francisca Crislândia O.;
Ferreira, Maria Kueirislene A.;
de Menezes, Jane Eire S. A.;
dos Santos, Hélcio S.;
Marques da Fonseca, Aluísio;
Nogueira, Carlos Emídio S.;
Marinho, Marcia M.;
Marinho, Emmanuel S.;
Teixeira, Alexandre Magno R.;
Silveira, Edilberto R.;
Pessoa, Otília Deusdênia L.

Publication type:

Article

Computational analysis and molecular dynamics simulation of high-risk single nucleotide polymorphisms of the ADAM10 gene.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 412, doi. 10.1080/07391102.2023.2192890

By:

Namme, Jannatun Nayem;
Reza, Hasan Mahmud;
Bepari, Asim Kumar

Publication type:

Article

Large-scale computational screening of Indian medicinal plants reveals Cassia angustifolia to be a potentially anti-diabetic.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 194, doi. 10.1080/07391102.2023.2192886

By:

Devaraji, Vinod;
Sivaraman, Jayanthi;
Prabhu, S.

Publication type:

Article

Model organism life extending therapeutics modulate diverse nodes in the drug-gene-microbe tripartite human longevity interactome.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 393, doi. 10.1080/07391102.2023.2192823

By:

Salekeen, Rahagir;
Lustgarten, Michael S.;
Khan, Umama;
Islam, Kazi Mohammed Didarul

Publication type:

Article

Identification of potential inhibitor against CTX-M-3 and CTX-M-15 proteins: an in silico and in vitro study.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 177, doi. 10.1080/07391102.2023.2192811

By:

Kar, Bipasa;
Kundu, Chanakya Nath;
Singh, Mahender Kumar;
Dehury, Budheswar;
Pati, Sanghamitra;
Bhattacharya, Debdutta

Publication type:

Article

An in-silico approach to understand the potential role of Wnt inhibitory factor-1 (WIF-1) in the inhibition of the Wnt signalling pathway.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 326, doi. 10.1080/07391102.2023.2192810

By:

Sen, Plaboni;
Roy Acharyya, Suchandra;
Arora, Arisha;
Ghosh, Siddhartha Sankar

Publication type:

Article

Cheminformatics identification of phenolics as modulators of penicillin-binding protein-3 of Pseudomonas aeruginosa towards interventive antibacterial therapy.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 298, doi. 10.1080/07391102.2023.2192808

By:

Aribisala, Jamiu Olaseni;
Sabiu, Saheed

Publication type:

Article

Antioxidant enzyme activities, molecular docking studies, MM-GBSA, and molecular dynamic of chlorpyrifos in freshwater fish Capoeta umbla.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 163, doi. 10.1080/07391102.2023.2192807

By:

Taysi, Mehmet Reşit;
Kirici, Muammer;
Kirici, Mahinur;
Tuzun, Burak;
Poustforoosh, Alireza

Publication type:

Article

Detection of natural compounds by virtual screening, molecular docking and dynamics studies and evaluation of their effects on tau level in vitro Alzheimer's model.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 384, doi. 10.1080/07391102.2023.2192806

By:

Uzunhisarcıklı, Ebru;
Çelik, İsmail;
Yerer, Mükerrem Betül

Publication type:

Article

2D-QSAR, molecular docking and MD simulation based virtual screening of the herbal molecules against Alzheimer's disorder: an approach to predict CNS activity.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 148, doi. 10.1080/07391102.2023.2192805

By:

Thakur, Aman;
Sharma, Bhanu;
Parashar, Arun;
Sharma, Vivek;
Kumar, Ajay;
Mehta, Vineet

Publication type:

Article

Hydroxamic acid derivatives as selective HDAC3 inhibitors: computer-aided drug design strategies.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 362, doi. 10.1080/07391102.2023.2192804

By:

Patel, Preeti;
Shrivastava, Sushant Kumar;
Sharma, Piyoosh;
Kurmi, Balak Das;
Shirbhate, Ekta;
Rajak, Harish

Publication type:

Article

New sulfa drug derivatives and their zinc(II) complexes: synthesis, spectroscopic properties and in vitro cytotoxic activities.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 134, doi. 10.1080/07391102.2023.2192803

By:

Şahal, Hakan;
Öz, Samet;
Keskin, Tuba;
Tekin, Suat;
Canpolat, Erdal;
Kaya, Mehmet

Publication type:

Article

Bovine serum albumin prevents human hemoglobin aggregation and retains its chaperone-like activity.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 346, doi. 10.1080/07391102.2023.2192802

By:

Khan, Sadaf;
Naeem, Aabgeena

Publication type:

Article

A combined in silico approaches of 2D-QSAR, molecular docking, molecular dynamics and ADMET prediction of anti-cancer inhibitor activity for actinonin derivatives.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 119, doi. 10.1080/07391102.2023.2192801

By:

Guendouzi, Abdelmadjid;
Belkhiri, Lotfi;
Guendouzi, Abdelkrim;
Derouiche, Tahar Mohamed Taha;
Djekoun, Abdelhamid

Publication type:

Article

Inhibitory effect of acarbose on tyrosinase: application of molecular dynamics integrating inhibition kinetics.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 314, doi. 10.1080/07391102.2023.2192800

By:

Xu, Jie-Hao;
Lee, Jinhyuk;
Yin, Shang-Jun;
Wang, Wei;
Park, Yong-Doo

Publication type:

Article

In silico modeling revealed phytomolecules derived from Cymbopogon citratus (DC.) leaf extract as promising candidates for malaria therapy.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 101, doi. 10.1080/07391102.2023.2192799

By:

Evbuomwan, Ikponmwosa Owen;
Alejolowo, Omokolade Oluwaseyi;
Elebiyo, Tobiloba Christiana;
Nwonuma, Charles Obiora;
Ojo, Oluwafemi Adeleke;
Edosomwan, Evelyn Uwa;
Chikwendu, Joy Ifeyinwa;
Elosiuba, Nwanneka Victoria;
Akulue, Justina Chimezie;
Dogunro, Festus Ayorinde;
Rotimi, Damilare Emmanuel;
Osemwegie, Omorefosa Osarenkhoe;
Ojo, Adebola Busola;
Ademowo, Olusegun George;
Adeyemi, Oluyomi Stephen;
Oluba, Olarewaju Michael

Publication type:

Article

Identifying novel therapeutic inhibitors to target FMS-like tyrosine kinase-3 (FLT3) against acute myeloid leukemia: a molecular docking, molecular dynamics, and DFT study.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 82, doi. 10.1080/07391102.2023.2192798

By:

Islam, Md Rashedul;
Osman, Osman I.;
Hassan, Walid M. I.

Publication type:

Article

Repurposing immune boosting and anti-viral efficacy of Parkia bioactive entities as multi-target directed therapeutic approach for SARS-CoV-2: exploration of lead drugs by drug likeness, molecular docking and molecular dynamics simulation methods.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 43, doi. 10.1080/07391102.2023.2192797

By:

Dinata, Roy;
Nisa, Nisekhoto;
Arati, Chettri;
Rasmita, Borgohain;
Uditraj, Chetia;
Siddhartha, Rajkonwar;
Bhanushree, Baishya;
Saeed-Ahmed, Laskar;
Manikandan, Bose;
Bidanchi, Rema Momin;
Abinash, Giri;
Pori, Buragohain;
Khushboo, Maurya;
Roy, Vikas Kumar;
Gurusubramanian, Guruswami

Publication type:

Article

Investigation of Bucillamine as anti-COVID-19 drug: DFT study, molecular docking, molecular dynamic simulation and ADMET analysis.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 34, doi. 10.1080/07391102.2023.2192791

By:

Huang, Fengwen;
Chen, Chen

Publication type:

Article

Can de-phosphorylation of serine-5 in the C-terminal domain of human polymerase II affect its interaction with the PA C-terminal domain of bat Flu A polymerase?

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 1, p. 1, doi. 10.1080/07391102.2022.2152872

By:

Samir, Ahmed;
Elshemey, Wael;
Elfiky, Abdo

Publication type:

Article