Works matching IS 13811991 AND DT 2024 AND VI 28 AND IP 5

Results: 52

Determination of promising inhibitors for N-SH2 domain of SHP2 tyrosine phosphatase: an in silico study.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3393, doi. 10.1007/s11030-024-10880-2

By:

Gencer Akçok, Emel Başak;
Güner, Hüseyin;
Akçok, İsmail

Publication type:

Article

Correction: Identifying β-secretase 1 (BACE1) inhibitors from plant-based compounds: an approach targeting Alzheimer's therapeutics employing molecular docking and dynamics simulation.

Published in:

2024

By:

Alrouji, Mohammed;
Alhumaydhi, Fahad A.;
Al Abdulmonem, Waleed;
Sharaf, Sharaf E.;
Shahwan, Moyad;
Majrashi, Taghreed A.;
Atiya, Akhtar;
Shamsi, Anas

Publication type:

Correction Notice

Potential protein kinase inhibitors that target G-quadruplex DNA structures in the human telomeric regions.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3377, doi. 10.1007/s11030-023-10768-7

By:

Banjan, Bhavya;
Koshy, Abel John;
Kalath, Haritha;
John, Levin;
Soman, Sowmya;
Raju, Rajesh;
Revikumar, Amjesh

Publication type:

Article

Exploring Monkeypox: prospects for therapeutics through computational-aided drug discovery.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3497, doi. 10.1007/s11030-023-10767-8

By:

Grajales, Daniela Bermeo;
Kar, Supratik

Publication type:

Article

Rational design of FXR agonists: a computational approach for NASH therapy.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3363, doi. 10.1007/s11030-023-10766-9

By:

Gandhe, Akshata;
Kumari, Sonia;
Elizabeth Sobhia, Masilamani

Publication type:

Article

Investigating catalytic pathways: a comparative review of homogeneous and heterogeneous catalysis for 3-aroylimidazo[1,2-a]pyridine synthesis.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3479, doi. 10.1007/s11030-023-10765-w

By:

Moutaouakil, Mohamed;
Roby, Othmane;
Tighadouini, Said;
Cherif, Abdelmjid;
El Aatiaoui, Abdelmalik;
Saddik, Rafik

Publication type:

Article

Identification of the myxobacterial secondary metabolites Aurachin A and Soraphinol A as promising inhibitors of thymidylate kinase of the Monkeypox virus.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3349, doi. 10.1007/s11030-023-10764-x

By:

Ali, Yasir;
Khan, Azmat Ali;
Alanazi, Amer M.;
Abdikakharovich, Sidikov Akmal;
Shah, Junaid Ali;
Ren, Zhi-Guang;
Khattak, Saadullah

Publication type:

Article

High-throughput virtual screening of potential inhibitors of GPR52 using docking and biased sampling method for Huntington's disease therapy.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3331, doi. 10.1007/s11030-023-10763-y

By:

Gupta, Himanshi;
Sahi, Shakti

Publication type:

Article

New tetrazolopyrrolidine-1,2,3-triazole analogues as potent anticancer agents: design, synthesis and molecular docking studies.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3313, doi. 10.1007/s11030-023-10762-z

By:

Gandham, Siva Kumar;
Kudale, Amit A.;
Allaka, Tejeswara Rao;
Chepuri, Kalyani;
Jha, Anjali

Publication type:

Article

Mycobacterial FtsZ and inhibitors: a promising target for the anti-tubercular drug development.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3457, doi. 10.1007/s11030-023-10759-8

By:

Shinde, Yashodeep;
Pathan, Asama;
Chinnam, Sampath;
Rathod, Gajanan;
Patil, Bhatu;
Dhangar, Mayur;
Mathew, Bijo;
Kim, Hoon;
Mundada, Anand;
Kukreti, Neelima;
Ahmad, Iqrar;
Patel, Harun

Publication type:

Article

Identification of efflux pump inhibitors for Pseudomonas aeruginosa MexAB-OprM via ligand-based pharmacophores, 2D-QSAR, molecular docking, and molecular dynamics approaches.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3295, doi. 10.1007/s11030-023-10758-9

By:

Phan, Thien-Vy;
Nguyen, Vu-Thuy-Vy;
Le, Minh-Tri;
Nguyen, Bao Gia Dang;
Vu, Thanh-Thao;
Thai, Khac-Minh

Publication type:

Article

Review on advancements of pyranopyrazole: synthetic routes and their medicinal applications.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3557, doi. 10.1007/s11030-023-10757-w

By:

Yadav, Ashok R.;
Katariya, Ashishkumar P.;
Kanagare, Anant B.;
Patil, Pramod D. Jawale;
Tagad, Chandrakant K.;
Dake, Satish A.;
Nagwade, Pratik A.;
Deshmukh, Satish U.

Publication type:

Article

Study on the mechanism of Gastrodiae Rhizoma, Lycii Fructus, and Ziziphi Spinosae Semen in sedation and tranquillising mind.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3279, doi. 10.1007/s11030-023-10756-x

By:

Zhu, Chenghao;
Zhang, Zhengru;
Wang, Shangtao;
Sun, Zhirong

Publication type:

Article

Exploration of phytochemical compounds against Marburg virus using QSAR, molecular dynamics, and free energy landscape.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3261, doi. 10.1007/s11030-023-10753-0

By:

Rabaan, Ali A.;
Halwani, Muhammad A.;
Garout, Mohammed;
Alotaibi, Jawaher;
AlShehail, Bashayer M.;
Alotaibi, Nouf;
Almuthree, Souad A.;
Alshehri, Ahmad A.;
Alshahrani, Mohammed Abdulrahman;
Othman, Basim;
Alqahtani, Abdulaziz;
Alissa, Mohammed

Publication type:

Article

Molecular Property Diagnostic Suite Compound Library (MPDS-CL): a structure-based classification of the chemical space.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3243, doi. 10.1007/s11030-023-10752-1

By:

John, Lijo;
Nagamani, Selvaraman;
Mahanta, Hridoy Jyoti;
Vaikundamani, S.;
Kumar, Nandan;
Kumar, Asheesh;
Jamir, Esther;
Priyadarsinee, Lipsa;
Sastry, G. Narahari

Publication type:

Article

Synthesis of pyrano-pyrimidines: recent advances in catalysis by magnetically recoverable nanocatalysts.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3523, doi. 10.1007/s11030-023-10751-2

By:

Fajer, Ali Noory;
Al-Bahrani, Hussein Ali;
Kadhum, Abud Amir Hussan;
Kazemi, Mosstafa

Publication type:

Article

Mechanism of Artemisia annua L. in the treatment of acute myocardial infarction: network pharmacology, molecular docking and in vivo validation.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3225, doi. 10.1007/s11030-023-10750-3

By:

Liang, Deng;
Yixuan, Duan;
Chang, Liu;
Jingjing, Sun;
Sihai, Zhao;
Jie, Deng

Publication type:

Article

Design, synthesis, X-ray crystal structure, and antimicrobial evaluation of novel quinazolinone derivatives containing the 1,2,4-triazole Schiff base moiety and an isopropanol linker.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3215, doi. 10.1007/s11030-023-10749-w

By:

Yang, Lan;
Ding, Muhan;
Shi, Jun;
Luo, Na;
Wang, Yuli;
Lin, Dongyun;
Bao, Xiaoping

Publication type:

Article

Synthesis and evaluation of imidazo[1,2-a]quinoxaline derivatives as potential antifungal agents against phytopathogenic fungi.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3153, doi. 10.1007/s11030-023-10739-y

By:

Ma, Taigui;
Zhong, Xu;
Yang, Ya;
Liu, Wenjing;
Guo, Bing;
Fan, Judi;
Tang, Lei;
Fan, Lingling;
Li, Yong

Publication type:

Article

Correction to: Repurposing of approved antivirals against dengue virus serotypes: an in silico and in vitro mechanistic study.

Published in:

2024

By:

Rashmi, S. H.;
Disha, K. Sai;
Sudheesh, N.;
Karunakaran, Kavitha;
Joseph, Alex;
Jagadesh, Anitha;
Mudgal, P. P.

Publication type:

Correction Notice

Bactericidal activity of esculetin is associated with impaired cell wall synthesis by targeting glutamate racemase of Neisseria gonorrhoeae.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3181, doi. 10.1007/s11030-023-10745-0

By:

Pawar, Alka;
Konwar, Chandrika;
Jha, Prakash;
Kant, Ravi;
Chopra, Madhu;
Chaudhry, Uma;
Saluja, Daman

Publication type:

Article

JAK2 inhibitors for the treatment of Philadelphia-negative myeloproliferative neoplasms: current status and future directions.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3445, doi. 10.1007/s11030-023-10742-3

By:

Liu, Xiaofeng;
Wang, Binyou;
Liu, Yuan;
Yu, Yang;
Wan, Ying;
Wu, Jianming;
Wang, Yiwei

Publication type:

Article

An efficient one-pot synthesis and docking studies of bioactive new antiproliferative dispiro[oxindole/acenaphthylenone‒benzofuranone] pyrrolidine scaffolds.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3165, doi. 10.1007/s11030-023-10741-4

By:

Sutariya, Tushar R.;
Brahmbhatt, Gaurangkumar C.;
Atara, Hiralben D.;
Parmar, Narsidas J.;
RajniKant;
Gupta, Vivek K.;
Lagunes, Irene;
Padrón, José M.;
Murumkar, Prashant R.;
Sharma, Mayank Kumar;
Yadav, Mange Ram

Publication type:

Article

Synthesis and applications of cyclonucleosides: an update (2010–2023).

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3427, doi. 10.1007/s11030-023-10740-5

By:

Burchiellaro, Katherine;
Mieczkowski, Adam

Publication type:

Article

Design anticancer potential of Zn(II)isoleucinedithiocarbamate complex on MCF-7 cell lines: synthesis, characterization, molecular docking, molecular dynamic, ADMET, and in-vitro studies.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3199, doi. 10.1007/s11030-023-10747-y

By:

Irfandi, Rizal;
Raya, Indah;
Ahmad, Ahyar;
Fudholi, Ahmad;
Riswandi;
Santi, Santi;
Azalea, Wynda Puspa;
Putri, Suriati Eka;
Alam, Muhammad Nur;
Supratman, Unang;
Olubode, Samuel Olawale;
Abdalrazaq, Eid A.;
Kandeel, Mahmoud;
Soekamto, Nunuk Hariani;
Natsir, Hasnah;
Maming;
Ramlawati

Publication type:

Article

Identification of potential flavonoid compounds as antibacterial therapeutics against Klebsiella pneumoniae infection using structure-based virtual screening and molecular dynamics simulation.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3111, doi. 10.1007/s11030-023-10738-z

By:

Dey, Jyotirmayee;
Mahapatra, Soumya Ranjan;
Raj, T. Kiran;
Misra, Namrata;
Suar, Mrutyunjay

Publication type:

Article

An in-silico scaffold- hopping approach to design novel inhibitors against gp130: A potential therapeutic application in cancer and Covid-19.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3129, doi. 10.1007/s11030-023-10737-0

By:

Roy, Alankar;
Paul, Ishani;
Luharuka, Shreya;
Ray, Sujay

Publication type:

Article

Design, synthesis, and STING-agonistic activity of benzo[b]thiophene-2-carboxamide derivatives.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3101, doi. 10.1007/s11030-023-10736-1

By:

Zhou, Rongyao;
Wang, Xiyuan;
Zhang, Deqiang;
Zhan, Zhengsheng;
Duan, ·Wenhu

Publication type:

Article

Three finger toxins of elapids: structure, function, clinical applications and its inhibitors.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3409, doi. 10.1007/s11030-023-10734-3

By:

Hiremath, Kashinath;
Dodakallanavar, Jagadeesh;
Sampat, Ganesh H.;
Patil, Vishal S.;
Harish, Darasaguppe R.;
Chavan, Rajashekar;
Hegde, Harsha V.;
Roy, Subarna

Publication type:

Article

Emodin derivatives as promising multi-aspect intervention agents for amyloid aggregation: molecular docking/dynamics simulation, bioactivities evaluation, and cytoprotection.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3085, doi. 10.1007/s11030-023-10733-4

By:

Shen, Rui;
Zhao, Wenshuang;
Li, Xiangyu;
Liu, Juanjuan;
Yang, Aihong;
Kou, Xiaodi

Publication type:

Article

Identifying β-secretase 1 (BACE1) inhibitors from plant-based compounds: an approach targeting Alzheimer's therapeutics employing molecular docking and dynamics simulation.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 2967, doi. 10.1007/s11030-023-10726-3

By:

Alrouji, Mohammed;
Alhumaydhi, Fahad A.;
Al Abdulmonem, Waleed;
Sharaf, Sharaf E.;
Shahwan, Moyad;
Majarisi, Taghreed;
Atiya, Akhtar;
Shamsi, Anas

Publication type:

Article

Breaking the 'don't eat me' signal: in silico design of CD47-directed peptides for cancer immunotherapy.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3067, doi. 10.1007/s11030-023-10732-5

By:

Laddha, Kapil;
Sobhia, M. Elizabeth

Publication type:

Article

QSAR analysis of five generations of cephalosporins to establish the structural basis of activity against methicillin-resistant and methicillin-sensitive Staphylococcus aureus.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3027, doi. 10.1007/s11030-023-10730-7

By:

Morán-Díaz, Jessica R.;
Neveros-Juárez, ·Francisco;
Arellano-Mendoza, Mónica Griselda;
Quintana-Zavala, Delia;
Lara-Salazar, Omar;
Trujillo-Ferrara, José Guadalupe;
Guevara-Salazar, J. Alberto

Publication type:

Article

A novel strategy to bind pyrimidine sulfonamide derivatives with odd even chains: exploration of their design, synthesis and biological activity evaluation.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3011, doi. 10.1007/s11030-023-10729-0

By:

Zhou, Meng;
Liu, Ying;
Wang, Shuo;
Feng, Jiankang;
Ni, Huiyan;
Lu, Chichong;
Jin, Guofan

Publication type:

Article

An insight on medicinal attributes of 1,2,3‐ and 1,2,4‐triazole derivatives as alpha-amylase and alpha-glucosidase inhibitors.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3605, doi. 10.1007/s11030-023-10728-1

By:

Sharma, Anushka;
Dubey, Rahul;
Bhupal, Ritu;
Patel, Preeti;
Verma, Sant Kumar;
Kaya, Savas;
Asati, Vivek

Publication type:

Article

Identification of natural product as selective PI3Kα inhibitor against NSCLC: multi-ligand pharmacophore modeling, molecular docking, ADME, DFT, and MD simulations.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 2983, doi. 10.1007/s11030-023-10727-2

By:

Halder, Debojyoti;
Das, Subham;
Jeyaprakash, R. S.

Publication type:

Article

WGS-based screening of the co-chaperone protein DjlA-induced curved DNA binding protein A (CbpA) from a new multidrug-resistant zoonotic mastitis-causing Klebsiella pneumoniae strain: a novel molecular target of selective flavonoids.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 3045, doi. 10.1007/s11030-023-10731-6

By:

Rahman, Mohammad Habibur;
Al Azad, Salauddin;
Uddin, Mohammad Fahim;
Farzana, Maisha;
Sharmeen, Iffat Ara;
Kabbo, Kaifi Sultana;
Jabin, Anika;
Rahman, Ashfaque;
Jamil, Farhan;
Srishti, Sanjida Ahmed;
Riya, Fahmida Haque;
Khan, Towhid;
Ahmed, Rasel;
Nurunnahar;
Rahman, Samiur;
Khan, Mohammad Ferdousur Rahman;
Rahman, Md. Bahanur

Publication type:

Article

Validation of quercetin in the treatment of colon cancer with diabetes via network pharmacology, molecular dynamics simulations, and in vitro experiments.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 2947, doi. 10.1007/s11030-023-10725-4

By:

Zhou, Weiguo;
Cao, Wei;
Wang, Mingqing;
Yang, Kang;
Zhang, Xun;
Liu, Yan;
Zhang, Peng;
Zhang, Zehua;
Cao, Guodong;
Chen, Bo;
Xiong, Maoming

Publication type:

Article

Multivariate QSAR, similarity search and ADMET studies based in a set of methylamine derivatives described as dopamine transporter inhibitors.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 2931, doi. 10.1007/s11030-023-10724-5

By:

de Oliveira, Luiz Henrique Dias;
Cruz, Jorddy Neves;
dos Santos, Cleydson Breno Rodrigues;
de Melo, Eduardo Borges

Publication type:

Article

An evidence update to explore molecular targets and protective mechanisms of apigenin against abdominal aortic aneurysms based on network pharmacology and experimental validation.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 2913, doi. 10.1007/s11030-023-10723-6

By:

Li, Dongyu;
Wang, Lei;
Jiang, Bo;
Miao, Yuxi;
Li, Xuan

Publication type:

Article

Lactic acid bacteria secreted proteins as potential Listeria monocytogenes quorum sensing inhibitors.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 2897, doi. 10.1007/s11030-023-10722-7

By:

Marques, Pedro Henrique;
Jaiswal, Arun Kumar;
de Almeida, Felipe Alves;
Pinto, Uelinton Manoel;
Ferreira-Machado, Alessandra Barbosa;
Tiwari, Sandeep;
Soares, Siomar de Castro;
Paiva, Aline Dias

Publication type:

Article

Diversity-oriented synthesis of 1H-1,2,3-triazole tethered pyrazolo[5,1-b]quinazoline hybrids as antimicrobial agents.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 2875, doi. 10.1007/s11030-023-10721-8

By:

Chudasama, Dipakkumar D.;
Patel, Manan S.;
Parekh, Jaydeepkumar N.;
Patel, Harsh C.;
Ram, Kesur R.

Publication type:

Article

Vitamin D3 regulates NSUN2 expression and inhibits melanoma cell proliferation and migration.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 2863, doi. 10.1007/s11030-023-10720-9

By:

Wang, Ling;
Zhang, Qiang;
Wang, Jinping;
Lu, Hongzhao;
Zeng, Wenxian;
Zhang, Tao

Publication type:

Article

Repurposing the in-house generated Alzheimer's disease targeting molecules through computational and preliminary in-vitro studies for the management of SARS-coronavirus-2.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 2847, doi. 10.1007/s11030-023-10717-4

By:

Singh, Gourav;
Thomas, Jobin;
Wadhawa, Sahil;
Kashyap, Anurag;
Rahaman, Syed Ajijur;
Borkotoky, Subhomoi;
Datta, Agnisha;
Singh, Gireesh Kumar;
Mishra, Indubhusan;
Rai, Geeta;
Satija, Jitendra;
Dubey, Vikash Kumar;
Modi, Gyan

Publication type:

Article

Repurposing of approved antivirals against dengue virus serotypes: an in silico and in vitro mechanistic study.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 2831, doi. 10.1007/s11030-023-10716-5

By:

Rashmi, S. H.;
Disha, K. Sai;
Sudheesh, N.;
Karunakaran, Joseph;
Joseph, Alex;
Jagadesh, Anitha;
Mudgal, P. P.

Publication type:

Article

Synthesis of some new 2-(substituted-phenyl)imidazo[4,5-c] and [4,5-b]pyridine derivatives and their antimicrobial activities.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 2817, doi. 10.1007/s11030-023-10715-6

By:

Altaib, Moftah;
Doganc, Fatima;
Kaşkatepe, Banu;
Göker, Hakan

Publication type:

Article

Network pharmacological analysis and experimental study of cucurbitacin B in oral squamous cell carcinoma.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 2801, doi. 10.1007/s11030-023-10713-8

By:

Yu, Zhenyuan;
Liang, Shuang;
Ji, Lanting;
Cheng, YaHsin;
Yan, Wenpeng;
Gao, Ruifang;
Zhang, Fang

Publication type:

Article

Identification of natural potent inhibitors against Mycobacterium tuberculosis isocitrate lyase: an in silico study.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 2783, doi. 10.1007/s11030-023-10711-w

By:

Rabaan, Ali A.;
Halwani, Muhammad A.;
Garout, Mohammed;
Turkistani, Safaa A.;
Alsubki, Roua A.;
Alawfi, Abdulsalam;
Alshengeti, Amer;
Najim, Mustafa A.;
Al Kaabi, Nawal A.;
Alqazih, Thikrayat Q.;
Aseeri, Ali A.;
Bahitham, Afnan S.;
Alsubaie, Manal A.;
Alissa, Mohammed;
Aljeldah, Mohammed

Publication type:

Article

Identification of potent anti-immunogenic agents through virtual screening, 3D-QSAR studies, and in vitro experiments.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 2771, doi. 10.1007/s11030-023-10709-4

By:

Mushtaq, Mamona;
Usmani, Saman;
Jabeen, Almas;
Nur-e-Alam, Mohammad;
Ahmed, Sarfaraz;
Ahmad, Aftab;
Ul-Haq, Zaheer

Publication type:

Article

Repositioning the existing drugs for neuroinflammation: a fusion of computational approach and biological validation to counter the Parkinson's disease progression.

Published in:

Molecular Diversity, 2024, v. 28, n. 5, p. 2759, doi. 10.1007/s11030-023-10708-5

By:

Tiwari, Harshita;
Kumar, Amit;
Barik, Manas Ranjan;
Kaur, Harjot;
Mahajan, Shubham;
Shukla, Monu Kumar;
Gupta, Monika;
Yadav, Govind;
Nargotra, Amit

Publication type:

Article