Works by Mahmud, Shafi

Results: 59

Plant-derived compounds effectively inhibit the main protease of SARS-CoV-2: An in silico approach.

Published in:

PLoS ONE, 2022, v. 17, n. 8, p. 1, doi. 10.1371/journal.pone.0273341

By:

Mahmud, Shafi;
Afrose, Shamima;
Biswas, Suvro;
Nagata, Abir;
Paul, Gobindo Kumar;
Mita, Mohasana Akter;
Hasan, Md. Robiul;
Shimu, Mst. Sharmin Sultana;
Zaman, Shahriar;
Uddin, Md. Salah;
Islam, Md Sayeedul;
Saleh, Md. Abu

Publication type:

Article

Plasma activated water: the next generation eco-friendly stimulant for enhancing plant seed germination, vigor and increased enzyme activity, a study on black gram (Vigna mungo L.).

Published in:

Plasma Chemistry & Plasma Processing, 2020, v. 40, n. 1, p. 119, doi. 10.1007/s11090-019-10028-3

By:

Sajib, Salek Ahmed;
Billah, Mutasim;
Mahmud, Shafi;
Miah, Masum;
Hossain, Forhad;
Omar, Farjana Binta;
Roy, Nepal Chandra;
Hoque, Kazi Md Faisal;
Talukder, Mamunur Rashid;
Kabir, Ahmad Humayun;
Reza, Md Abu

Publication type:

Article

Impacts of nutritive and bioactive compounds on cancer development and therapy.

Published in:

Critical Reviews in Food Science & Nutrition, 2023, v. 63, n. 28, p. 9187, doi. 10.1080/10408398.2022.2062699

By:

Sultana, Sabira;
Bouyahya, Abdelhakim;
Rebezov, Maksim;
Shariati, Mohammad Ali;
Balahbib, Abdelaali;
Khouchlaa, Aya;
El Yaagoubi, Ouadie Mohamed;
Khaliq, Adnan;
El Omari, Nasreddine;
Bakrim, Saad;
Zengin, Gokhan;
Akram, Muhammad;
Khayrullin, Mars;
Bogonosova, Irina;
Mahmud, Shafi;
Simal-Gandara, Jesus

Publication type:

Article

Synthesis, antimicrobial, SAR, PASS, molecular docking, molecular dynamics and pharmacokinetics studies of 5′-O-uridine derivatives bearing acyl moieties: POM study and identification of the pharmacophore sites.

Published in:

Nucleosides, Nucleotides & Nucleic Acids, 2022, v. 41, n. 10, p. 1036, doi. 10.1080/15257770.2022.2096898

By:

Munia, Nasrin S.;
Hosen, Mohammed A.;
Azzam, Khaldun M. A.;
Al-Ghorbani, Mohammed;
Baashen, Mohammed;
Hossain, Mohammed K.;
Ali, Ferdausi;
Mahmud, Shafi;
Shimu, Mst. S. S.;
Almalki, Faisal A.;
Hadda, Taibi B.;
Laaroussi, Hamid;
Naimi, Souad;
Kawsar, Sarkar M. A.

Publication type:

Article

Potential antifungal activity of novel carbohydrate derivatives validated by POM, molecular docking and molecular dynamic simulations analyses.

Published in:

Molecular Simulation, 2023, v. 49, n. 1, p. 60, doi. 10.1080/08927022.2022.2123948

By:

Kawsar, Sarkar M. A.;
Almalki, Faisal A.;
Hadd, Taibi Ben;
Laaroussi, Hamid;
Khan, Muhammad A. R.;
Hosen, Mohammed A.;
Mahmud, Shafi;
Aounti, Abdelouahed;
Maideen, Naina M. P.;
Heidarizadeh, Fariba;
Soliman, Sameh S. M.

Publication type:

Article

Volatile compounds of Bacillus pseudomycoides induce growth and drought tolerance in wheat (Triticum aestivum L.).

Published in:

Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-22354-2

By:

Paul, Gobindo Kumar;
Mahmud, Shafi;
Dutta, Amit Kumar;
Sarkar, Swagotom;
Laboni, Aysha Akter;
Hossain, Md. Shamim;
Nagata, Abir;
Karmaker, Pranab;
Razu, Mamudul Hasan;
Kazi, Taheruzzaman;
Uddin, Md. Salah;
Zaman, Shahriar;
Islam, Md Sayeedul;
Khan, Mala;
Saleh, Md. Abu

Publication type:

Article

Analysis of SYK Gene as a Prognostic Biomarker and Suggested Potential Bioactive Phytochemicals as an Alternative Therapeutic Option for Colorectal Cancer: An In-Silico Pharmaco-Informatics Investigation.

Published in:

Journal of Personalized Medicine, 2021, v. 11, n. 9, p. 888, doi. 10.3390/jpm11090888

By:

Biswas, Partha;
Dey, Dipta;
Rahman, Atikur;
Islam, Md. Aminul;
Susmi, Tasmina Ferdous;
Kaium, Md. Abu;
Hasan, Md. Nazmul;
Rahman, MD. Hasanur;
Mahmud, Shafi;
Saleh, Md. Abu;
Paul, Priyanka;
Rahman, Md Rezanur;
Saber, Md. Al;
Song, Hangyeul;
Rahman, Md. Ataur;
Kim, Bonglee

Publication type:

Article

A molecular modelling approach for identifying antiviral selenium-containing heterocyclic compounds that inhibit the main protease of SARS-CoV-2: an in silico investigation.

Published in:

Briefings in Bioinformatics, 2021, v. 22, n. 2, p. 1476, doi. 10.1093/bib/bbab045

By:

Rakib, Ahmed;
Nain, Zulkar;
Sami, Saad Ahmed;
Mahmud, Shafi;
Islam, Ashiqul;
Ahmed, Shahriar;
Siddiqui, Adnan Bin Faisul;
Babu, S M Omar Faruque;
Hossain, Payar;
Shahriar, Asif;
Nainu, Firzan;
Emran, Talha Bin;
Simal-Gandara, Jesus

Publication type:

Article

Virtual screening and molecular dynamics simulation study of plant-derived compounds to identify potential inhibitors of main protease from SARS-CoV-2.

Published in:

Briefings in Bioinformatics, 2021, v. 22, n. 2, p. 1402, doi. 10.1093/bib/bbaa428

By:

Mahmud, Shafi;
Uddin, Mohammad Abu Raihan;
Paul, Gobindo Kumar;
Shimu, Mst Sharmin Sultana;
Islam, Saiful;
Rahman, Ekhtiar;
Islam, Ariful;
Islam, Md Samiul;
Promi, Maria Meha;
Emran, Talha Bin;
Saleh, Md Abu

Publication type:

Article

Pathogenicity and virulence of Marburg virus.

Published in:

Virulence, 2022, v. 13, n. 1, p. 609, doi. 10.1080/21505594.2022.2054760

By:

Abir, Mehedy Hasan;
Rahman, Tanjilur;
Das, Ayan;
Etu, Silvia Naznin;
Nafiz, Iqbal Hossain;
Rakib, Ahmed;
Mitra, Saikat;
Bin Emran, Talha;
Dhama, Kuldeep;
Islam, Ariful;
Siyadatpanah, Abolghasem;
Mahmud, Shafi;
Kim, Bonlgee;
Hassan, Mohammad Mahmudul

Publication type:

Article

Revealing the Acetylcholinesterase Inhibitory Potential of Phyllanthus amarus and Its Phytoconstituents: In Vitro and in Silico Approach.

Published in:

Bioinformatics & Biology Insights, 2022, p. 1, doi. 10.1177/11779322221118330

By:

Faloye, Kolade O;
Mahmud, Shafi;
Fakola, Emmanuel G;
Oyetunde, Yemisi M;
Fajobi, Sunday J;
Ugwo, Jeremiah P;
Olusola, Ayobami J;
Famuyiwa, Samson O;
Olajubutu, Oluwabukunmi G;
Oguntade, Temitope I;
Obaidullah, Ahmad J

Publication type:

Article

Revealing the Acetylcholinesterase Inhibitory Potential of Phyllanthus amarus and Its Phytoconstituents: In Vitro and in Silico Approach.

Published in:

Bioinformatics & Biology Insights, 2022, v. 16, p. 1, doi. 10.1177/11779322221118330

By:

Faloye, Kolade O.;
Mahmud, Shafi;
Fakola, Emmanuel G.;
Oyetunde, Yemisi M.;
Fajobi, Sunday J.;
Ugwo, Jeremiah P.;
Olusola, Ayobami J.;
Famuyiwa, Samson O.;
Olajubutu, Oluwabukunmi G.;
Oguntade, Temitope I.;
Obaidullah, Ahmad J.

Publication type:

Article

Catabolic profiling of selective enzymes in the saccharification of non-food lignocellulose parts of biomass into functional edible sugars and bioenergy: An in silico bioprospecting.

Published in:

Journal of Advanced Veterinary & Animal Research, 2022, v. 9, n. 1, p. 19, doi. 10.5455/javar.2022.i565

By:

Paul, Parag Kumar;
Al Azad, Salauddin;
Rahman, Mohammad Habibur;
Farjana, Mithila;
Uddin, Muhammad Ramiz;
Dey, Dipta;
Mahmud, Shafi;
Ema, Tanzila Ismail;
Biswas, Partha;
Anjum, Maliha;
Akhi, Ozifatun Jannat;
Ahmed, Shahlaa Zernaz

Publication type:

Article

An Analysis Based on Molecular Docking and Molecular Dynamics Simulation Study of Bromelain as Anti-SARS-CoV-2 Variants.

Published in:

Frontiers in Pharmacology, 2021, v. 12, p. 1, doi. 10.3389/fphar.2021.717757

By:

Tallei, Trina Ekawati;
Fatimawali;
Yelnetty, Afriza;
Idroes, Rinaldi;
Kusumawaty, Diah;
Emran, Talha Bin;
Yesiloglu, Talha Zahid;
Sippl, Wolfgang;
Mahmud, Shafi;
Alqahtani, Taha;
Alqahtani, Ali M.;
Asiri, Saeed;
Rahmatullah, Mohammed;
Jahan, Rownak;
Khan, Md. Arif;
Celik, Ismail

Publication type:

Article

Phytochemical Constituents, Biological Activities, and Health-Promoting Effects of the Melissa officinalis.

Published in:

Oxidative Medicine & Cellular Longevity, 2021, v. 2021, p. 1, doi. 10.1155/2021/6584693

By:

Sharifi-Rad, Javad;
Quispe, Cristina;
Herrera-Bravo, Jesús;
Akram, Muhammad;
Abbaass, Wafa;
Semwal, Prabhakar;
Painuli, Sakshi;
Konovalov, Dmitry Alekseevich;
Alfred, Mary Angelia;
Kumar, Nanjangud Venkatesh Anil;
Imran, Muhammad;
Nadeem, Muhammad;
Sawicka, Barbara;
Pszczółkowski, Piotr;
Bienia, Bernadetta;
Barbaś, Piotr;
Mahmud, Shafi;
Durazzo, Alessandra;
Lucarini, Massimo;
Santini, Antonello

Publication type:

Article

Mixed dye degradation by Bacillus pseudomycoides and Acinetobacter haemolyticus isolated from industrial effluents: A combined affirmation with wetlab and in silico studies.

Published in:

Arabian Journal of Chemistry, 2022, v. 15, n. 9, p. N.PAG, doi. 10.1016/j.arabjc.2022.104078

By:

Shamim Hossain, Md.;
Kumar Paul, Gobindo;
Mahmud, Shafi;
Abu Saleh, Md.;
Salah Uddin, Md.;
Kumar Dutta, Amit;
Kumar Roy, Apurba;
Kumar Saha, Ananda;
Moinuddin Sheam, Md.;
Ahmed, Sabbir;
Mizanur Rahman, Md.;
Kumar Paul, Dipak;
Kumar Biswas, Sudhangshu

Publication type:

Article

In search of novel inhibitors of anti-cancer drug target fibroblast growth factor receptors: Insights from virtual screening, molecular docking, and molecular dynamics.

Published in:

Arabian Journal of Chemistry, 2022, v. 15, n. 7, p. N.PAG, doi. 10.1016/j.arabjc.2022.103882

By:

Mahfuz, A M U B;
Khan, Md. Arif;
Biswas, Suvro;
Afrose, Shamima;
Mahmud, Shafi;
Mohammed Bahadur, Newaz;
Ahmed, Firoz

Publication type:

Article

Computational screening and biochemical analysis of Pistacia integerrima and Pandanus odorifer plants to find effective inhibitors against Receptor-Binding domain (RBD) of the spike protein of SARS-Cov-2.

Published in:

Arabian Journal of Chemistry, 2022, v. 15, n. 2, p. N.PAG, doi. 10.1016/j.arabjc.2021.103600

By:

Kumar Paul, Gobindo;
Mahmud, Shafi;
Aldahish, Afaf A;
Afroze, Mirola;
Biswas, Suvro;
Briti Ray Gupta, Swagota;
Hasan Razu, Mahmudul;
Zaman, Shahriar;
Salah Uddin, Md.;
Nahari, Mohammed H;
Merae Alshahrani, Mohammed;
Abdul Rahman Alshahrani, Mohammed;
Khan, Mala;
Abu Saleh, Md.

Publication type:

Article

Antiviral peptides against the main protease of SARS-CoV-2: A molecular docking and dynamics study.

Published in:

Arabian Journal of Chemistry, 2021, v. 14, n. 9, p. N.PAG, doi. 10.1016/j.arabjc.2021.103315

By:

Mahmud, Shafi;
Biswas, Suvro;
Kumar Paul, Gobindo;
Mita, Mohasana Akter;
Afrose, Shamima;
Robiul Hasan, Md.;
Sharmin Sultana Shimu, Mst.;
Uddin, Mohammad Abu Raihan;
Salah Uddin, Md.;
Zaman, Shahriar;
Kaderi Kibria, K.M.;
Arif Khan, Md.;
Bin Emran, Talha;
Abu Saleh, Md.

Publication type:

Article

In vitro and in silico approach of fungal growth inhibition by Trichoderma asperellum HbGT6-07 derived volatile organic compounds.

Published in:

Arabian Journal of Chemistry, 2021, v. 14, n. 9, p. N.PAG, doi. 10.1016/j.arabjc.2021.103290

By:

Kamaruzzaman, Md.;
Islam, Md. Samiul;
Mahmud, Shafi;
Polash, Shakil Ahmed;
Sultana, Razia;
Hasan, Md. Amit;
Wang, Chao;
Jiang, Chunhao

Publication type:

Article

Identification and in silico molecular modelling study of newly isolated Bacillus subtilis SI-18 strain against S9 protein of Rhizoctonia solani.

Published in:

Arabian Journal of Chemistry, 2020, v. 13, n. 12, p. 8600, doi. 10.1016/j.arabjc.2020.09.044

By:

Islam, Md. Samiul;
Mahmud, Shafi;
Sultana, Razia;
Dong, Wubei

Publication type:

Article

Chemical Characterization, Antioxidant, and Antihyperglycemic Capacity of Ferulated Arabinoxylan Extracted from "Chicha de Jora" Bagasse: An Ancestral Fermented Beverage from Zea mays L.

Published in:

Journal of Food Quality, 2022, p. 1, doi. 10.1155/2022/4015886

By:

Segovia-Huarcaya, Juan Jharol;
Valentin-Soto, Lilian Silvana;
Herrera-Calderon, Oscar;
Fuertes-Ruitón, César Máximo;
Pari-Olarte, Josefa Bertha;
Loyola-Gonzales, Eddie;
Almeida-Galindo, José Santiago;
Kong-Chirinos, José Francisco;
Melgar-Merino, Elizabeth Julia;
Alshahrani, Mohammed Merae;
Mahmud, Shafi

Publication type:

Article

Phytochemicals from Leucas zeylanica Targeting Main Protease of SARS-CoV-2: Chemical Profiles, Molecular Docking, and Molecular Dynamics Simulations.

Published in:

Biology (2079-7737), 2021, v. 10, n. 8, p. 789, doi. 10.3390/biology10080789

By:

Dutta, Mycal;
Tareq, Abu Montakim;
Rakib, Ahmed;
Mahmud, Shafi;
Sami, Saad Ahmed;
Mallick, Jewel;
Islam, Mohammad Nazmul;
Majumder, Mohuya;
Uddin, Md. Zia;
Alsubaie, Abdullah;
Almalki, Abdulraheem S. A.;
Khandaker, Mayeen Uddin;
Bradley, D.A.;
Rana, Md. Sohel;
Emran, Talha Bin

Publication type:

Article

Plant-Based Phytochemical Screening by Targeting Main Protease of SARS-CoV-2 to Design Effective Potent Inhibitors.

Published in:

Biology (2079-7737), 2021, v. 10, n. 7, p. 589, doi. 10.3390/biology10070589

By:

Mahmud, Shafi;
Biswas, Suvro;
Paul, Gobindo Kumar;
Mita, Mohasana Akter;
Promi, Maria Meha;
Afrose, Shamima;
Hasan, Md. Robiul;
Zaman, Shahriar;
Uddin, Md. Salah;
Dhama, Kuldeep;
Emran, Talha Bin;
Saleh, Md. Abu;
Simal-Gandara, Jesus

Publication type:

Article

Drug Repurposing Approach against Novel Coronavirus Disease (COVID-19) through Virtual Screening Targeting SARS-CoV-2 Main Protease.

Published in:

Biology (2079-7737), 2021, v. 10, n. 1, p. 2, doi. 10.3390/biology10010002

By:

Chowdhury, Kamrul Hasan;
Chowdhury, Md. Riad;
Mahmud, Shafi;
Tareq, Abu Montakim;
Hanif, Nujhat Binte;
Banu, Naureen;
Reza, A. S. M. Ali;
Emran, Talha Bin;
Simal-Gandara, Jesus

Publication type:

Article

Methyl β-D-galactopyranoside esters as potential inhibitors for SARS-CoV-2 protease enzyme: synthesis, antimicrobial, PASS, molecular docking, molecular dynamics simulations and quantum computations.

Published in:

Glycoconjugate Journal, 2022, v. 39, n. 2, p. 261, doi. 10.1007/s10719-021-10039-3

By:

Amin, Md R.;
Yasmin, Farhana;
Dey, Sujan;
Mahmud, Shafi;
Saleh, Md A.;
Emran, Talha B.;
Hasan, Imtiaj;
Rajia, Sultana;
Ogawa, Yukiko;
Fujii, Yuki;
Yamada, Masao;
Ozeki, Yasuhiro;
Kawsar, Sarkar M. A.

Publication type:

Article

Dominant clade‐featured SARS‐CoV‐2 co‐occurring mutations reveal plausible epistasis: An in silico based hypothetical model.

Published in:

Journal of Medical Virology, 2022, v. 94, n. 3, p. 1035, doi. 10.1002/jmv.27416

By:

Alam, A. S. M. Rubayet Ul;
Islam, Ovinu Kibria;
Hasan, Md. Shazid;
Islam, Mir Raihanul;
Mahmud, Shafi;
Al‐Emran, Hassan M.;
Jahid, Iqbal Kabir;
Crandall, Keith A.;
Hossain, M. Anwar

Publication type:

Article

The Current State of Knowledge in Biological Properties of Cirsimaritin.

Published in:

Antioxidants, 2022, v. 11, n. 9, p. 1842, doi. 10.3390/antiox11091842

By:

Benali, Taoufiq;
Jaouadi, Imane;
Ghchime, Rokia;
El Omari, Nasreddine;
Harboul, Kaoutar;
Hammani, Khalil;
Rebezov, Maksim;
Shariati, Mohammad Ali;
Mubarak, Mohammad S.;
Simal-Gandara, Jesus;
Zengin, Gokhan;
Park, Moon-Nyeo;
Kim, Bonglee;
Mahmud, Shafi;
Lee, Learn-Han;
Bouyahya, Abdelhakim

Publication type:

Article

LC-MS/HRMS Analysis, Anti-Cancer, Anti-Enzymatic and Anti-Oxidant Effects of Boerhavia diffusa Extracts: A Potential Raw Material for Functional Applications.

Published in:

Antioxidants, 2021, v. 10, n. 12, p. 2003, doi. 10.3390/antiox10122003

By:

Sinan, Kouadio Ibrahime;
Akpulat, Uğur;
Aldahish, Afaf A.;
Celik Altunoglu, Yasemin;
Baloğlu, Mehmet Cengiz;
Zheleva-Dimitrova, Dimitrina;
Gevrenova, Reneta;
Lobine, Devina;
Mahomoodally, Mohamad Fawzi;
Etienne, Ouattara Katinan;
Zengin, Gokhan;
Mahmud, Shafi;
Capasso, Raffaele

Publication type:

Article

Comprehensive translational profiling and STE AI uncover rapid control of protein biosynthesis during cell stress.

Published in:

Nucleic Acids Research, 2024, v. 52, n. 13, p. 7925, doi. 10.1093/nar/gkae365

By:

Horvath, Attila;
Janapala, Yoshika;
Woodward, Katrina;
Mahmud, Shafi;
Cleynen, Alice;
Gardiner, Elizabeth E;
Hannan, Ross D;
Eyras, Eduardo;
Preiss, Thomas;
Shirokikh, Nikolay E

Publication type:

Article

A conserved subunit vaccine designed against SARS-CoV-2 variants showed evidence in neutralizing the virus.

Published in:

Applied Microbiology & Biotechnology, 2022, v. 106, n. 11, p. 4091, doi. 10.1007/s00253-022-11988-x

By:

Kibria, K. M. Kaderi;
Faruque, Md. Omar;
Islam, Md. Shaid bin;
Ullah, Hedayet;
Mahmud, Shafi;
Miah, Mojnu;
Saleh, Amani Ali

Publication type:

Article

phytochemdb: a platform for virtual screening and computer-aided drug designing.

Published in:

Database: The Journal of Biological Databases & Curation, 2022, v. 2022, p. 1, doi. 10.1093/database/baac002

By:

Mahmud, Shafi;
Paul, Gobindo Kumar;
Biswas, Suvro;
Kazi, Taheruzzaman;
Mahbub, Shafquat;
Mita, Mohasana Akter;
Afrose, Shamima;
Islam, Ariful;
Ahaduzzaman, Sheikh;
Hasan, Md. Robiul;
Shimu, Mst. Sharmin Sultana;
Promi, Maria Meha;
Shehab, Mobasshir Noor;
Rahman, Ekhtiar;
Sujon, Khaled Mahmud;
Alom, Md. Wasim;
Modak, Anik;
Zaman, Shahriar;
Uddin, Md. Salah;
Emran, Talha Bin

Publication type:

Article

Molecular docking and dynamics study to explore phytochemical ligand molecules against the main protease of SARS-CoV-2 from extensive phytochemical datasets.

Published in:

Expert Review of Clinical Pharmacology, 2021, v. 14, n. 10, p. 1305, doi. 10.1080/17512433.2021.1959318

By:

Mahmud, Shafi;
Mita, Mohasana Akter;
Biswas, Suvro;
Paul, Gobindo Kumar;
Promi, Maria Meha;
Afrose, Shamima;
Hasan, Robiul;
Shimu, Sharmin Sultana;
Zaman, Shahriar;
Uddin, Salah;
Tallei, Trina Ekawati;
Emran, Talha Bin;
Saleh, Abu

Publication type:

Article

Natural flavonoids effectively block the CD81 receptor of hepatocytes and inhibit HCV infection: a computational drug development approach.

Published in:

Molecular Diversity, 2023, v. 27, n. 3, p. 1309, doi. 10.1007/s11030-022-10491-9

By:

Dey, Dipta;
Biswas, Partha;
Paul, Priyanka;
Mahmud, Shafi;
Ema, Tanzila Ismail;
Khan, Arysha Alif;
Ahmed, Shahlaa Zernaz;
Hasan, Mohammad Mehedi;
Saikat, Abu Saim Mohammad;
Fatema, Babry;
Bibi, Shabana;
Rahman, Md. Ataur;
Kim, Bonglee

Publication type:

Article

Designing a multi-epitope vaccine candidate to combat MERS-CoV by employing an immunoinformatics approach.

Published in:

Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-92176-1

By:

Mahmud, Shafi;
Rafi, Md. Oliullah;
Paul, Gobindo Kumar;
Promi, Maria Meha;
Shimu, Mst. Sharmin Sultana;
Biswas, Suvro;
Emran, Talha Bin;
Dhama, Kuldeep;
Alyami, Salem A.;
Moni, Mohammad Ali;
Saleh, Md. Abu

Publication type:

Article

Phenolic compounds as α-glucosidase inhibitors: a docking and molecular dynamics simulation study.

Published in:

Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 9, p. 3862, doi. 10.1080/07391102.2022.2058092

By:

Swargiary, Ananta;
Roy, Mritunjoy Kumar;
Mahmud, Shafi

Publication type:

Article

Identification of potential phytochemicals from Citrus Limon against main protease of SARS-CoV-2: molecular docking, molecular dynamic simulations and quantum computations.

Published in:

Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 21, p. 10741, doi. 10.1080/07391102.2021.1947893

By:

Khan, Jishan;
Sakib, Shahenur Alam;
Mahmud, Shafi;
Khan, Zidan;
Islam, Mohammad Nazmul;
Sakib, Mahfuz Ahmed;
Emran, Talha Bin;
Simal-Gandara, Jesus

Publication type:

Article

Designing potent inhibitors against the multidrug resistance P-glycoprotein.

Published in:

Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 19, p. 9403, doi. 10.1080/07391102.2021.1930159

By:

Mahmud, Shafi;
Islam, Md. Jahirul;
Parves, Md. Rimon;
Khan, Md. Arif;
Tabussum, Lamiya;
Ahmed, Sinthyia;
Ali, Md. Ackas;
Fakayode, Sayo O.;
Halim, Mohammad A.

Publication type:

Article

Screening of phytochemicals as potent inhibitor of 3-chymotrypsin and papain-like proteases of SARS-CoV2: an in silico approach to combat COVID-19.

Published in:

Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 5, p. 2067, doi. 10.1080/07391102.2020.1835729

By:

Swargiary, Ananta;
Mahmud, Shafi;
Saleh, Md. Abu

Publication type:

Article

Comparative molecular investigation of the potential inhibitors against SARS-CoV-2 main protease: a molecular docking study.

Published in:

Journal of Biomolecular Structure & Dynamics, 2021, v. 39, n. 16, p. 6317, doi. 10.1080/07391102.2020.1796813

By:

Khan, Md. Arif;
Mahmud, Shafi;
Alam, A. S. M. Rubayet Ul;
Rahman, Md. Ekhtiar;
Ahmed, Firoz;
Rahmatullah, Mohammed

Publication type:

Article

Molecular docking and dynamics study of natural compound for potential inhibition of main protease of SARS-CoV-2.

Published in:

Journal of Biomolecular Structure & Dynamics, 2021, v. 39, n. 16, p. 6281, doi. 10.1080/07391102.2020.1796808

By:

Mahmud, Shafi;
Uddin, Mohammad Abu Raihan;
Zaman, Meemtaheena;
Sujon, Khaled Mahmud;
Rahman, Md. Ekhtiar;
Shehab, Mobasshir Noor;
Islam, Ariful;
Alom, Md. Wasim;
Amin, Al;
Akash, Al Shahriar;
Saleh, Md. Abu

Publication type:

Article

Computational discovery of plant-based inhibitors against human carbonic anhydrase IX and molecular dynamics simulation.

Published in:

Journal of Biomolecular Structure & Dynamics, 2021, v. 39, n. 8, p. 2754, doi. 10.1080/07391102.2020.1753579

By:

Mahmud, Shafi;
Rahman, Ekhtiar;
Nain, Zulkar;
Billah, Mutasim;
Karmakar, Sumon;
Mohanto, Sumon Chandro;
Paul, Gobindo Kumar;
Amin, Al;
Acharjee, Uzzal Kumar;
Saleh, Md. Abu

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Article

Extensive immunoinformatics study for the prediction of novel peptide-based epitope vaccine with docking confirmation against envelope protein of Chikungunya virus: a computational biology approach.

Published in:

Journal of Biomolecular Structure & Dynamics, 2021, v. 39, n. 4, p. 1139, doi. 10.1080/07391102.2020.1726815

By:

Bappy, Syed Shahariar;
Sultana, Sorna;
Adhikari, Juthi;
Mahmud, Shafi;
Khan, Md. Arif;
Kibria, K. M. Kaderi;
Rahman, Md. Masuder;
Shibly, Abu Zaffar

Publication type:

Article

Proteome-wide screening for designing a multi-epitope vaccine against emerging pathogen Elizabethkingia anophelis using immunoinformatic approaches.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 16, p. 4850, doi. 10.1080/07391102.2019.1692072

By:

Nain, Zulkar;
Abdulla, Faruq;
Rahman, M. Mizanur;
Karim, Mohammad Minnatul;
Khan, Md. Shakil Ahmed;
Sayed, Sifat Bin;
Mahmud, Shafi;
Rahman, S. M. Raihan;
Sheam, Md. Moinuddin;
Haque, Zahurul;
Adhikari, Utpal Kumar

Publication type:

Article

Exploring the potent inhibitors and binding modes of phospholipase A2 through in silico investigation.

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Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 14, p. 4221, doi. 10.1080/07391102.2019.1680440

By:

Mahmud, Shafi;
Parves, Md. Rimon;
Riza, Yasir Mohamed;
Sujon, Khaled Mahmud;
Ray, Suvendu;
Tithi, Fahmida Alam;
Zaoti, Zannati Ferdous;
Alam, Sanjida;
Absar, N.

Publication type:

Article

Singular and Combined Effects of Essential Oil and Honey of Eucalyptus Globulus on Anti-Inflammatory, Antioxidant, Dermatoprotective, and Antimicrobial Properties: In Vitro and In Vivo Findings.

Published in:

Molecules, 2022, v. 27, n. 16, p. 5121, doi. 10.3390/molecules27165121

By:

Assaggaf, Hamza M.;
Naceiri Mrabti, Hanae;
Rajab, Bodour S.;
Attar, Ammar A.;
Hamed, Munerah;
Sheikh, Ryan A.;
Omari, Nasreddine El;
Menyiy, Naoual El;
Belmehdi, Omar;
Mahmud, Shafi;
Alshahrani, Mohammed Merae;
Park, Moon Nyeo;
Kim, Bonglee;
Zengin, Gokhan;
Bouyahya, Abdelhakim

Publication type:

Article

Molecular Docking and Dynamics Simulation of Natural Compounds from Betel Leaves (Piper betle L.) for Investigating the Potential Inhibition of Alpha-Amylase and Alpha-Glucosidase of Type 2 Diabetes.

Published in:

Molecules, 2022, v. 27, n. 14, p. N.PAG, doi. 10.3390/molecules27144526

By:

Ahmed, Sabbir;
Ali, Md Chayan;
Ruma, Rumana Akter;
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Paul, Gobindo Kumar;
Saleh, Md Abu;
Alshahrani, Mohammed Merae;
Obaidullah, Ahmad J.;
Biswas, Sudhangshu Kumar;
Rahman, Md Mafizur;
Rahman, Md Mizanur;
Islam, Md Rezuanul

Publication type:

Article

Novel Galactopyranoside Esters: Synthesis, Mechanism, In Vitro Antimicrobial Evaluation and Molecular Docking Studies.

Published in:

Molecules, 2022, v. 27, n. 13, p. 4125, doi. 10.3390/molecules27134125

By:

Matin, Priyanka;
Hanee, Umme;
Alam, Muhammad Shaiful;
Jeong, Jae Eon;
Matin, Mohammed Mahbubul;
Rahman, Md. Rezaur;
Mahmud, Shafi;
Alshahrani, Mohammed Merae;
Kim, Bonglee

Publication type:

Article

Can the SARS-CoV-2 Omicron Variant Confer Natural Immunity against COVID-19?

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Molecules, 2022, v. 27, n. 7, p. 2221, doi. 10.3390/molecules27072221

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Abas, Abdul Hawil;
Marfuah, Siti;
Idroes, Rinaldi;
Kusumawaty, Diah;
Fatimawali;
Park, Moon Nyeo;
Siyadatpanah, Abolghasem;
Alhumaydhi, Fahad A.;
Mahmud, Shafi;
Tallei, Trina Ekawati;
Emran, Talha Bin;
Kim, Bonglee

Publication type:

Article

Integrated Machine Learning and Chemoinformatics-Based Screening of Mycotic Compounds against Kinesin Spindle ProteinEg5 for Lung Cancer Therapy.

Published in:

Molecules, 2022, v. 27, n. 5, p. 1639, doi. 10.3390/molecules27051639

By:

Maiti, Priyanka;
Sharma, Priyanka;
Nand, Mahesha;
Bhatt, Indra D.;
Ramakrishnan, Muthannan Andavar;
Mathpal, Shalini;
Joshi, Tushar;
Pant, Ragini;
Mahmud, Shafi;
Simal-Gandara, Jesus;
Alshehri, Sultan;
Ghoneim, Mohammed M.;
Alruwaily, Maha;
Awadh, Ahmed Abdullah Al;
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Chandra, Subhash

Publication type:

Article