Works matching IS 13811991 AND DT 2024 AND VI 28 AND IP 6

Results: 48

Precision in stereochemistry: the integral role of catalytic asymmetric Biginelli reaction in crafting enantiomerically pure dihydropyrimidinones.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4441, doi. 10.1007/s11030-024-10827-7

By:

Bendi, Anjaneyulu;
Bhathiwal, Anirudh Singh;
Tiwari, Aditi;
Rao, G. B. Dharma;
Afshari, Mozhgan

Publication type:

Article

Synthesis of propargylamine: pioneering a green path with non-conventional KA<sup>2</sup> coupling approach.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4635, doi. 10.1007/s11030-024-10826-8

By:

Khadanga, Lambodar;
Roopan, Selvaraj Mohana

Publication type:

Article

Biocomputational screening of natural compounds targeting 15-hydroxyprostaglandin dehydrogenase to improve skeletal muscle during aging.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4425, doi. 10.1007/s11030-024-10825-9

By:

Ahmad, Syed Sayeed;
Lim, Jeong Ho;
Choi, Inho;
Lee, Eun Ju

Publication type:

Article

Exploring host epigenetic enzymes as targeted therapies for visceral leishmaniasis: in silico design and in vitro efficacy of KDM6B and ASH1L inhibitors.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4403, doi. 10.1007/s11030-024-10824-w

By:

Dutta, Mukul;
Qamar, Tooba;
Kushavah, Unnati;
Siddiqi, Mohammad Imran;
Kar, Susanta

Publication type:

Article

Identification of novel potential cathepsin-B inhibitors through pharmacophore-based virtual screening, molecular docking, and dynamics simulation studies for the treatment of Alzheimer's disease.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4381, doi. 10.1007/s11030-024-10821-z

By:

Jangra, Jatin;
Bajad, Nilesh Gajanan;
Singh, Ravi;
Kumar, Ashok;
Singh, Sushil Kumar

Publication type:

Article

Identification of potential JNK3 inhibitors through virtual screening, molecular docking and molecular dynamics simulation as therapeutics for Alzheimer's disease.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4361, doi. 10.1007/s11030-024-10820-0

By:

Devi, Bharti;
Jangid, Kailash;
Kumar, Naveen;
Kumar, Vinay;
Kumar, Vinod

Publication type:

Article

Computational discovery of novel FYN kinase inhibitors: a cheminformatics and machine learning-driven approach to targeted cancer and neurodegenerative therapy.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4343, doi. 10.1007/s11030-024-10819-7

By:

Gopal, Dhanushya;
Muthuraj, Rajesh;
Balaya, Rex Devasahayam Arokia;
Kanekar, Saptami;
Ahmed, Iqrar;
Chandrasekaran, Jaikanth

Publication type:

Article

Deciphering the multi-functional role of Indian propolis for the management of Alzheimer's disease by integrating LC–MS/MS, network pharmacology, molecular docking, and in-vitro studies.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4325, doi. 10.1007/s11030-024-10818-8

By:

Sankaran, Sandeep;
Dubey, Rahul;
Gomatam, Anish;
Chakor, Rishikesh;
Kshirsagar, Ashwini;
Lohidasan, Sathiyanarayanan

Publication type:

Article

Therapeutic applications of carbohydrate-based compounds: a sweet solution for medical advancement.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4553, doi. 10.1007/s11030-024-10810-2

By:

Lalhmangaihzuala, Samson;
Vanlaldinpuia, Khiangte;
Khiangte, Vanlalngaihawma;
Laldinpuii, Zathang;
Liana, Thanhming;
Lalhriatpuia, Chhakchhuak;
Pachuau, Zodinpuia

Publication type:

Article

In-silico identification and exploration of small molecule coumarin-1,2,3-triazole hybrids as potential EGFR inhibitors for targeting lung cancer.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4301, doi. 10.1007/s11030-024-10817-9

By:

Kumar, Sunil;
Ali, Iqra;
Abbas, Faheem;
Shafiq, Faiza;
Yadav, Ashok Kumar;
Ghate, Manjunath D.;
Kumar, Deepak

Publication type:

Article

Screening inhibitors against the Ef-Tu of Fusobacterium nucleatum: a docking, ADMET and PBPK assessment study.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4259, doi. 10.1007/s11030-024-10815-x

By:

Alzamami, Ahmad;
Alturki, Norah A.;
Khan, Kanwal;
Basharat, Zarrin;
Mashraqi, Mutaib M.

Publication type:

Article

Ligand-based pharmacophore modeling and machine learning for the discovery of potent aurora A kinase inhibitory leads of novel chemotypes.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4241, doi. 10.1007/s11030-024-10814-y

By:

Banat, Rajaa;
Daoud, Safa;
Taha, Mutasem Omar

Publication type:

Article

Structure-based drug design and characterization of novel pyrazine hydrazinylidene derivatives with a benzenesulfonate scaffold as noncovalent inhibitors of DprE1 tor tuberculosis treatment.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4221, doi. 10.1007/s11030-024-10812-0

By:

Shivakumar;
Dinesha, P.;
Udayakumar, D.

Publication type:

Article

First report on chemometrics-driven multilayered lead prioritization in addressing oxysterol-mediated overexpression of G protein-coupled receptor 183.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4199, doi. 10.1007/s11030-024-10811-1

By:

Bhattacharjee, Arnab;
Kar, Supratik;
Ojha, Probir Kumar

Publication type:

Article

Guanidine dicycloamine-based analogs: green chemistry synthesis, biological investigation, and molecular docking studies as promising antibacterial and antiglycation leads.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4277, doi. 10.1007/s11030-024-10816-w

By:

El-Remaily, Mahmoud Abd El Aleem. A. A.;
Aboelez, Moustafa O.;
Ezelarab, Hend A. A.;
Selim, Heba Mohammed Refat M.;
Taha, Enas A.;
Mohamed, Shaaban K.;
Soliman, Ahmed M.;
Abdallah, Mohamed S.;
Fawy, Mariam A.;
Hassany, Mohamed A.;
Ahmed, Nessar;
Alsaggaf, Azhaar T.;
El Hamd, Mohamed A.;
Kamel, Moumen S.

Publication type:

Article

Multi-method computational evaluation of the inhibitors against leucine-rich repeat kinase 2 G2019S mutant for Parkinson's disease.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4181, doi. 10.1007/s11030-024-10808-w

By:

Elhadi, Ahmed;
Zhao, Dan;
Ali, Noman;
Sun, Fusheng;
Zhong, Shijun

Publication type:

Article

Design, synthesis, and biological evaluation of new biaryl derivatives of cycloalkyl diacetamide bearing chalcone moiety as type II c-MET kinase inhibitors.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4167, doi. 10.1007/s11030-024-10807-x

By:

Salarinejad, Somayeh;
Seyfi, Soheila;
Hayashi, Seiko;
Moghimi, Setareh;
Toolabi, Mahsa;
Taslimi, Parham;
Firoozpour, Loghman;
Usui, Takeo;
Foroumadi, Alireza

Publication type:

Article

Taming the cytokine storm: small molecule inhibitors targeting IL-6/IL-6α receptor.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4151, doi. 10.1007/s11030-023-10805-5

By:

Zia, Komal;
Nur-e-Alam, Mohammad;
Ahmad, Aftab;
Ul-Haq, Zaheer

Publication type:

Article

Green synthesis and investigation of antioxidant and antibacterial activity of new derivatives of chromenoazepines employing CuO/TiO<sub>2</sub>@MWCNTs.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4137, doi. 10.1007/s11030-023-10803-7

By:

Hasani, Leila;
Ezzatzadeh, Elham;
Hossaini, Zinatossadat

Publication type:

Article

Repositioning of anti-infective compounds against monkeypox virus core cysteine proteinase: a molecular dynamics study.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4113, doi. 10.1007/s11030-023-10802-8

By:

Rabaan, Ali A.;
Alshahrani, Fatimah S.;
Garout, Mohammed;
Alissa, Mohammed;
Mashraqi, Mutaib M.;
Alshehri, Ahmad A.;
Alsaleh, Abdulmonem A.;
Alwarthan, Sara;
Sabour, Amal A.;
Alfaraj, Amal H.;
AlShehail, Bashayer M.;
Alotaibi, Nouf;
Abduljabbar, Wesam A.;
Aljeldah, Mohammed;
Alestad, Jeehan H.

Publication type:

Article

Synthesis, modifications, and applications of iron-based nanoparticles.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4515, doi. 10.1007/s11030-023-10801-9

By:

Shahbazi, Raheleh;
Behbahani, Farahnaz K.

Publication type:

Article

Diversifying the benzenesulfonamide scaffold for potential V-ATPase inhibitors: synthesis and insecticidal activity evaluation.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4105, doi. 10.1007/s11030-023-10800-w

By:

Qian, Hao;
Guo, Tao;
Zhang, Jinyu;
Hu, Yingkun;
Wang, Changzhao;
Yu, Keyin;
Wu, Wenjun;
Zhang, Jiwen

Publication type:

Article

Clustering of atoms relative to vector space in the Z-matrix coordinate system and 'graphical fingerprint' analysis of 3D pharmacophore structure.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4087, doi. 10.1007/s11030-023-10798-1

By:

Kızılcan, Dilek Şeyma;
Güzel, Yahya;
Türkmenoğlu, Burçin

Publication type:

Article

In silico identification of potential phytochemical inhibitors for mpox virus: molecular docking, MD simulation, and ADMET studies.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4067, doi. 10.1007/s11030-023-10797-2

By:

Ghate, Sudeep D.;
Pinto, Larina;
Alva, Shivakiran;
Srinivasa, Mahendra Gowdru;
Vangala, Rajani Kanth;
Naik, Prashantha;
Revanasiddappa, B. C.;
Rao, R. Shyama Prasad

Publication type:

Article

The identification of c-Abl inhibitors as potential agents for Parkinson's disease: a preliminary in silico approach.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4051, doi. 10.1007/s11030-023-10796-3

By:

Rymbai, Emdormi;
Roy, Dhritiman;
Jupudi, Srikanth;
Srinivasadesikan, Venkatesan

Publication type:

Article

Medicinal chemistry perspective of JAK inhibitors: synthesis, biological profile, selectivity, and structure activity relationship.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4467, doi. 10.1007/s11030-023-10794-5

By:

Maji, Lalmohan;
Sengupta, Sindhuja;
Purawarga Matada, Gurubasavaraja Swamy;
Teli, Ghanshyam;
Biswas, Gourab;
Das, Pronoy Kanti;
Panduranga Mudgal, Manjunatha

Publication type:

Article

Antidiabetic potential of thiazolidinedione derivatives with efficient design, molecular docking, structural activity relationship, and biological activity: an update review (2021–2023).

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4609, doi. 10.1007/s11030-023-10793-6

By:

Sharma, Anchal;
Kumar, Nitish;
Gulati, Harmandeep Kaur;
Rana, Rupali;
Jyoti;
Khanna, Aanchal;
Muskan;
Singh, Jatinder Vir;
Bedi, Preet Mohinder Singh

Publication type:

Article

Sulfonamido, amido heterocyclic adducts of tetrazole derivatives as BACE1 inhibitors: in silico exploration.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4017, doi. 10.1007/s11030-023-10792-7

By:

Joshi, Nachiket;
Alavala, Rajasekhar Reddy

Publication type:

Article

Deciphering neuroprotective mechanism of nitroxoline in cerebral ischemia: network pharmacology and molecular modeling-based investigations.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 3993, doi. 10.1007/s11030-023-10791-8

By:

Vadak, Namrata;
Borkar, Maheshkumar R.;
Bhatt, Lokesh Kumar

Publication type:

Article

Design, synthesis, anti-mycobacterial activity, molecular docking and ADME analysis of spiroquinoxaline-1,2,4-oxadiazoles via [3 + 2] cycloaddition reaction under ultrasound irradiation.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 3979, doi. 10.1007/s11030-023-10790-9

By:

Kanchrana, Madhu;
Gamidi, Rama Krishna;
Kumari, Jyothi;
Sriram, Dharmarajan;
Basavoju, Srinivas

Publication type:

Article

Discovery of Palbociclib as a potent c-Myc G4 stabilizer for lung cancer treatment using molecular docking, molecular dynamics simulation, and in vitro activity evaluation.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 3965, doi. 10.1007/s11030-023-10789-2

By:

Gao, Jian;
Liang, Chao;
Yin, Jiacheng;
Bai, Ying;
Hu, Dong

Publication type:

Article

Discovery of novel Akt1 inhibitors by an ensemble-based virtual screening method, molecular dynamics simulation, and in vitro biological activity testing.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 3949, doi. 10.1007/s11030-023-10788-3

By:

Zhang, Wen;
Hu, Mei-Ling;
Shi, Xiu-Yun;
Chen, Xiang-Long;
Su, Xue;
Qi, Hua-Zhao;
Yuan, Li;
Zhang, Hui

Publication type:

Article

An in silico approach for identification of lead compound as FtsZ inhibitor.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 3937, doi. 10.1007/s11030-023-10787-4

By:

Kifayat, Sumaiya;
Almuqdadi, Haider Thaer Abdulhameed;
Singh, Ravindra Pal;
Singh, Mithilesh;
Abid, Mohammad;
Sanapalli, Bharat Kumar Reddy

Publication type:

Article

Novel flavonol derivatives containing benzoxazole as potential antiviral agents: design, synthesis, and biological evaluation.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 3919, doi. 10.1007/s11030-023-10786-5

By:

Zhou, Yuanxiang;
Sun, Zhiling;
Zhou, Qing;
Zeng, Wei;
Zhang, Miaohe;
Feng, Shuang;
Xue, Wei

Publication type:

Article

Comprehensive computational investigation for ligand recognition and binding dynamics of SdiA: a degenerate LuxR -type receptor in Klebsiella pneumoniae.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 3897, doi. 10.1007/s11030-023-10785-6

By:

Panchal, Janki;
Prajapati, Jignesh;
Dabhi, Milan;
Patel, Arun;
Patel, Sandip;
Rawal, Rakesh;
Saraf, Meenu;
Goswami, Dweipayan

Publication type:

Article

Network-based drug repurposing identifies small molecule drugs as immune checkpoint inhibitors for endometrial cancer.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 3879, doi. 10.1007/s11030-023-10784-7

By:

Ahmed, Faheem;
Samantasinghar, Anupama;
Ali, Wajid;
Choi, Kyung Hyun

Publication type:

Article

Copper (II) complex supported on magnetic nanoparticles as a novel nanocatalyst for the synthesis of imidazo[1,2-a]pyridines.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 3859, doi. 10.1007/s11030-023-10781-w

By:

Jiang, Shanshan

Publication type:

Article

Identification of molecular targets of Trigonelline for treating breast cancer through network pharmacology and bioinformatics-based prediction.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 3835, doi. 10.1007/s11030-023-10780-x

By:

Manivannan, Hema Priya;
Veeraraghavan, Vishnu Priya;
Francis, Arul Prakash

Publication type:

Article

Anticancer activity features of imidazole-based ionic liquids and lysosomotropic detergents: in silico and in vitro studies.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 3817, doi. 10.1007/s11030-023-10779-4

By:

Gryniukova, Anastasiia;
Borysko, Petro;
Myziuk, Iryna;
Alieksieieva, Diana;
Hodyna, Diana;
Semenyuta, Ivan;
Kovalishyn, Vasyl;
Metelytsia, Larysa;
Rogalsky, Sergiy;
Tcherniuk, Sergey

Publication type:

Article

Synthesis, biological evaluation and molecular docking studies of novel 1,3,4-thiadiazoles as potential anticancer agents and human carbonic anhydrase inhibitors.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 3801, doi. 10.1007/s11030-023-10778-5

By:

Karakuş, Sevgi;
Başçıl, Elif;
Tok, Fatih;
Erdoğan, Ömer;
Çevik, Özge;
Başoğlu, Faika

Publication type:

Article

An overview of recent advancements in small molecules suppression of oncogenic signaling of K-RAS: an updated review.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 4581, doi. 10.1007/s11030-023-10777-6

By:

Sabt, Ahmed;
Tawfik, Haytham O.;
Khaleel, Eman F.;
Badi, Rehab Mustafa;
Ibrahim, Hoda Atef Abdelsattar;
Elkaeed, Eslam B.;
Eldehna, Wagdy M.

Publication type:

Article

Design, synthesis and biological evaluation of MNK-PROTACs.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 3783, doi. 10.1007/s11030-023-10776-7

By:

Sun, Xue;
Wu, Qingyun;
Bu, Hong;
Pei, Yifeng;
Guan, Dezhong;
Guo, Shi;
Zhou, Jinpei;
Zhang, Huibin

Publication type:

Article

Design, synthesis, and pharmacological evaluation of indazole carboxamides of N-substituted pyrrole derivatives as soybean lipoxygenase inhibitors.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 3757, doi. 10.1007/s11030-023-10775-8

By:

Lavrentaki, Vasiliki;
Kousaxidis, Antonios;
Theodosis-Nobelos, Panagiotis;
Papagiouvannis, Georgios;
Koutsopoulos, Konstantinos;
Nicolaou, Ioannis

Publication type:

Article

Organohalogen chalcones: design, synthesis, ADMET prediction, molecular dynamics study and inhibition effect on acetylcholinesterase and carbonic anhydrase.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 3739, doi. 10.1007/s11030-023-10774-9

By:

Aydin, Busra Ozturk;
Anil, Derya Aktas;
Demir, Yeliz;
Alagoz, Mehmet Abdullah

Publication type:

Article

Synthesis, biological activities and mechanism studies of 1,3,4-oxadiazole analogues of petiolide A as anticancer agents.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 3713, doi. 10.1007/s11030-023-10773-w

By:

Zhang, Minjie;
Chen, Guifen;
Chen, Yafang;
Sui, Yi;
Zhang, Yan;
Yang, Wude;
Yu, Xiang

Publication type:

Article

Design and investigation of interactions of novel peptide conjugates of purine and pyrimidine derivatives with EGFR and its mutant T790M/L858R: an in silico and laboratory study.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 3683, doi. 10.1007/s11030-023-10772-x

By:

Hunt, Hannah L.;
Goncalves, Beatriz G.;
Biggs, Mary A.;
Rico, Mia I.;
Murray, Molly E.;
Lebedenko, Charlotta G.;
Banerjee, Ipsita A.

Publication type:

Article

Structure-based virtual screening against multiple Plasmodium falciparum kinases reveals antimalarial compounds.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 3661, doi. 10.1007/s11030-023-10770-z

By:

Godara, Priya;
Reddy, K. Sony;
Sahu, Welka;
Naik, Biswajit;
Srivastava, Varshita;
Das, Rusham;
Mahor, Ajay;
Kumar, Prateek;
Giri, Rajanish;
Anirudh, Jivanage;
Tak, Harshita;
Banavath, Hemanth Naick;
Bhatt, Tarun Kumar;
Goyal, Amit Kumar;
Prusty, Dhaneswar

Publication type:

Article

Fluorinated 2-arylchroman-4-ones and their derivatives: synthesis, structure and antiviral activity.

Published in:

Molecular Diversity, 2024, v. 28, n. 6, p. 3635, doi. 10.1007/s11030-023-10769-6

By:

Troshkova, Nadezhda;
Politanskaya, Larisa;
Bagryanskaya, Irina;
Chuikov, Igor;
Wang, Jiaying;
Ilyina, Polina;
Mikhalski, Mikhail;
Esaulkova, Iana;
Volobueva, Alexandrina;
Zarubaev, Vladimir

Publication type:

Article