Works by Mahmud, Shafi

Results: 51

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
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
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
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
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
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
Missense mutations in spike protein of SARS‐CoV‐2 delta variant contribute to the alteration in viral structure and interaction with hACE2 receptor.
Published in:
Immunity, Inflammation & Disease, 2022, v. 10, n. 9, p. 1, doi. 10.1002/iid3.683
By:
- Mahmood, Tousif Bin;
- Hossan, Mohammad Imran;
- Mahmud, Shafi;
- Shimu, Mst. Sharmin Sultana;
- Alam, Md. Jahidul;
- Bhuyan, Md. Mahfuzur Rahman;
- Emran, Talha Bin
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
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
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
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
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
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;
- Mahmud, Shafi;
- 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?
Published in:
Molecules, 2022, v. 27, n. 7, p. 2221, doi. 10.3390/molecules27072221
By:
- 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;
- Alshahrani, Mohammed Merae;
- Chandra, Subhash
Publication type:
Article
Phytochemical Compound Screening to Identify Novel Small Molecules against Dengue Virus: A Docking and Dynamics Study.
Published in:
Molecules, 2022, v. 27, n. 3, p. 653, doi. 10.3390/molecules27030653
By:
- Shimu, Mst. Sharmin Sultana;
- Mahmud, Shafi;
- Tallei, Trina Ekwati;
- Sami, Saad Ahmed;
- Adam, Ahmad Akroman;
- Acharjee, Uzzal Kumar;
- Paul, Gobindo Kumar;
- Emran, Talha Bin;
- Zaman, Shahriar;
- Uddin, Md. Salah;
- Saleh, Md. Abu;
- Alshehri, Sultan;
- Ghoneim, Mohammed M;
- Alruwali, Maha;
- Obaidullah, Ahmad J.;
- Jui, Nabilah Rahman;
- Kim, Junghwan;
- Kim, Bonglee
Publication type:
Article
Elucidating the Glucokinase Activating Potentials of Naturally Occurring Prenylated Flavonoids: An Explicit Computational Approach.
Published in:
Molecules, 2021, v. 26, n. 23, p. 7211, doi. 10.3390/molecules26237211
By:
- Faloye, Kolade Olatubosun;
- Bekono, Boris Davy;
- Fakola, Emmanuel Gabriel;
- Ayoola, Marcus Durojaye;
- Bello, Oyenike Idayat;
- Olajubutu, Oluwabukunmi Grace;
- Owoseeni, Onikepe Deborah;
- Mahmud, Shafi;
- Alqarni, Mohammed;
- Al Awadh, Ahmed Abdullah;
- Alshahrani, Mohammed Merae;
- Obaidullah, Ahmad J.
Publication type:
Article
Synthesis, Antimicrobial, Anticancer, PASS, Molecular Docking, Molecular Dynamic Simulations & Pharmacokinetic Predictions of Some Methyl β-D-Galactopyranoside Analogs.
Published in:
Molecules, 2021, v. 26, n. 22, p. 7016, doi. 10.3390/molecules26227016
By:
- Amin, Md. Ruhul;
- Yasmin, Farhana;
- Hosen, Mohammed Anowar;
- Dey, Sujan;
- Mahmud, Shafi;
- Saleh, Md. Abu;
- Emran, Talha Bin;
- Hasan, Imtiaj;
- Fujii, Yuki;
- Yamada, Masao;
- Ozeki, Yasuhiro;
- Kawsar, Sarkar Mohammad Abe
Publication type:
Article
In Silico Evaluation of Iranian Medicinal Plant Phytoconstituents as Inhibitors against Main Protease and the Receptor-Binding Domain of SARS-CoV-2.
Published in:
Molecules, 2021, v. 26, n. 18, p. 5724, doi. 10.3390/molecules26185724
By:
- Mousavi, Seyyed Sasan;
- Karami, Akbar;
- Haghighi, Tahereh Movahhed;
- Tumilaar, Sefren Geiner;
- Fatimawali;
- Idroes, Rinaldi;
- Mahmud, Shafi;
- Celik, Ismail;
- Ağagündüz, Duygu;
- Tallei, Trina Ekawati;
- Emran, Talha Bin;
- Capasso, Raffaele
Publication type:
Article
Efficacy of Phytochemicals Derived from Avicennia officinalis for the Management of COVID-19: A Combined In Silico and Biochemical Study.
Published in:
Molecules, 2021, v. 26, n. 8, p. 2210, doi. 10.3390/molecules26082210
By:
- Mahmud, Shafi;
- Paul, Gobindo Kumar;
- Afroze, Mirola;
- Islam, Shirmin;
- Gupt, Swagota Briti Ray;
- Razu, Mamudul Hasan;
- Biswas, Suvro;
- Zaman, Shahriar;
- Uddin, Md. Salah;
- Khan, Mala;
- Cacciola, Nunzio Antonio;
- Emran, Talha Bin;
- Saleh, Md. Abu;
- Capasso, Raffaele;
- Simal-Gandara, Jesus
Publication type:
Article
Chemical Profiles and Pharmacological Properties with in Silico Studies on Elatostema papillosum Wedd.
Published in:
Molecules, 2021, v. 26, n. 4, p. 809, doi. 10.3390/molecules26040809
By:
- Uddin, Md. Zia;
- Paul, Arkajyoti;
- Rakib, Ahmed;
- Sami, Saad Ahmed;
- Mahmud, Shafi;
- Rana, Md. Sohel;
- Hossain, Shahadat;
- Tareq, Abu Montakim;
- Dutta, Mycal;
- Emran, Talha Bin;
- Simal-Gandara, Jesus;
- Verotta, Luisella
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
Mineral and Phenolic Composition of Erodium guttatum Extracts and Investigation of Their Antioxidant Properties in Diabetic Mice.
Published in:
Oxidative Medicine & Cellular Longevity, 2022, p. 1, doi. 10.1155/2022/4229981
By:
- Benrahou, Kaoutar;
- Mrabti, Hanae Naceiri;
- Fettach, Saad;
- Kachmar, Mohamed Reda;
- Kouach, Mostafa;
- Goossens, Jean-François;
- Doudach, Latifa;
- Mahmud, Shafi;
- Alshahrani, Mohammed Merae;
- Al Awadh, Ahmed Abdullah;
- Bouyahya, Abdelhakim;
- Faouzi, My El Abbes
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
Potent In Vitro Phosphodiesterase 1 Inhibition of Flavone Isolated from Pistacia integerrima Galls.
Published in:
BioMed Research International, 2022, p. 1, doi. 10.1155/2022/6116003
By:
- Rauf, Abdur;
- Bawazeer, Sami;
- Herrera-Bravo, Jesús;
- Raza, Muslim;
- Naz, Humaira;
- Gul, Somia;
- Muhammad, Naveed;
- Almarhoon, Zainab M.;
- Mabkhot, Yahia N.;
- Ramadan, Mohamed Fawzy;
- Setzer, William N.;
- Daştan, Sevgi Durna;
- Mahmud, Shafi;
- Sharifi-Rad, Javad
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
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
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
Publication type:
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.
Published in:
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
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
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
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
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
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
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