Works matching IS 13811991 AND DT 2023 AND VI 27 AND IP 6

Results: 26

Molecular dynamics articulated multilevel virtual screening protocol to discover novel dual PPAR α/γ agonists for anti-diabetic and metabolic applications.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2605, doi. 10.1007/s11030-022-10571-w

By:

Mandal, Subhankar;
Faizan, Syed;
Raghavendra, Nulgumnalli Manjunathaiah;
Kumar, B. R. Prashantha

Publication type:

Article

Pharmacoinformatic approach to identify potential phytochemicals against SARS-CoV-2 spike receptor-binding domain in native and variants of concern.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2741, doi. 10.1007/s11030-022-10580-9

By:

Chinnadurai, Raj Kumar;
Ponne, Saravanaraman;
Chitra, Loganathan;
Kumar, Rajender;
Thayumanavan, Palvannan;
Subramanian, Balanehru

Publication type:

Article

In silico study reveals unconventional interactions between MDC1 of DDR and Beclin-1 of autophagy.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2789, doi. 10.1007/s11030-022-10579-2

By:

Pandya, Kavya;
Singh, Neeru

Publication type:

Article

Ligand-based designing of DPP-4 inhibitors via hybridization; synthesis, docking, and biological evaluation of pyridazine-acetohydrazides.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2729, doi. 10.1007/s11030-022-10577-4

By:

Nidhar, Manisha;
Kumar, Vipin;
Mahapatra, Archisman;
Gupta, Priya;
Yadav, Brijesh Kumar;
Singh, Rahul Kumar;
Tewari, Ashish Kumar

Publication type:

Article

Unraveling the access to the regioselective synthesis of highly functionalized pyranopyrazoles using an ionic liquid catalyst.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2633, doi. 10.1007/s11030-022-10572-9

By:

Katariya, Ashishkumar P.;
Shirsath, Prakash D.;
Narode, Hanuman;
Gaikwad, Pravinkumar B.;
Kadam, Gajanan G.;
Katariya, Maya V.;
Deshmukh, Satish U.

Publication type:

Article

Exploring binding mode assessment of novel kaempferol, resveratrol, and quercetin derivatives with PPAR-α as potent drug candidates against cancer.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2867, doi. 10.1007/s11030-022-10587-2

By:

Ballav, Sangeeta;
Lokhande, Kiran Bharat;
Yadav, Rohit Singh;
Ghosh, Payel;
Swamy, K. V.;
Basu, Soumya

Publication type:

Article

Molecular mechanism of Acanthopanax senticosus in the treatment of Alzheimer's disease based on network pharmacology and molecular docking.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2849, doi. 10.1007/s11030-022-10586-3

By:

Kuang, Feng;
Xiang, Tao

Publication type:

Article

I<sub>2</sub>-catalyzed one-pot oxidative condensation of thiourea, methyl ketones, and aryl thiols into 5-sulfenylated 2-amino-1,3-thiazoles by DMSO.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2887, doi. 10.1007/s11030-022-10585-4

By:

Abbasi, Mohammad;
Nowrouzi, Najmeh;
Sajedinia, Sara

Publication type:

Article

Subtractive sequence analysis aided druggable targets mining in Burkholderia cepacia complex and finding inhibitors through bioinformatics approach.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2823, doi. 10.1007/s11030-022-10584-5

By:

Hassan, Syed Shah;
Shams, Rida;
Camps, Ihosvany;
Basharat, Zarrin;
Sohail, Saman;
Khan, Yasmin;
Ullah, Asad;
Irfan, Muhammad;
Ali, Javed;
Bilal, Muhammad;
Morel, Carlos M.

Publication type:

Article

First-row transition metal for isocyanide-involving multicomponent reactions (IMCR).

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2895, doi. 10.1007/s11030-022-10583-6

By:

Morja, Mayur I.;
Moradiya, Riddhi B.;
Chikhalia, Kishor H.

Publication type:

Article

Identification of allosteric inhibitor against AKT1 through structure-based virtual screening.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2803, doi. 10.1007/s11030-022-10582-7

By:

Karunakaran, Keerthana;
Muniyan, Rajiniraja

Publication type:

Article

Nanobody-peptide-conjugate (NPC) for passive immunotherapy against SARS-CoV-2 variants of concern (VoC): a prospective pan-coronavirus therapeutics.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2577, doi. 10.1007/s11030-022-10570-x

By:

Panda, Mamta;
Kalita, Elora;
Singh, Satyendra;
Kumar, Ketan;
Prajapati, Vijay Kumar

Publication type:

Article

Acetylphenyl-substituted imidazolium salts: synthesis, characterization, in silico studies and inhibitory properties against some metabolic enzymes.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2767, doi. 10.1007/s11030-022-10578-3

By:

Demirci, Özlem;
Tezcan, Burcu;
Demir, Yeliz;
Taskin-Tok, Tugba;
Gök, Yetkin;
Aktaş, Aydın;
Güzel, Bilgehan;
Gülçin, İlhami

Publication type:

Article

Oncoinformatic screening of the gene clusters involved in the HER2-positive breast cancer formation along with the in silico pharmacodynamic profiling of selective long-chain omega-3 fatty acids as the metastatic antagonists.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2651, doi. 10.1007/s11030-022-10573-8

By:

Morshed, A K M Helal;
Al Azad, Salauddin;
Mia, Md. Abdur Rashid;
Uddin, Mohammad Fahim;
Ema, Tanzila Ismail;
Yeasin, Rukaiya Binte;
Srishti, Sanjida Ahmed;
Sarker, Pallab;
Aurthi, Rubaita Younus;
Jamil, Farhan;
Samia, Nure Sharaf Nower;
Biswas, Partha;
Sharmeen, Iffat Ara;
Ahmed, Rasel;
Siddiquy, Mahbuba;
Nurunnahar

Publication type:

Article

Evaluation of action of steroid molecules on SARS-CoV-2 by inhibiting NSP-15, an endoribonuclease.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2715, doi. 10.1007/s11030-022-10576-5

By:

Dhanabalan, Anantha Krishnan;
Raghavan, Sriram Srinivasa;
Rajendran, Selvakumar;
Ramasamy, Velavan;
Abdul, Shaik Abdul Azeez;
Narayanasamy, Nandhagopal;
Krishnasamy, Gunasekaran

Publication type:

Article

3D-QSAR assisted identification of selective CYP1B1 inhibitors: an effective bioisosteric replacement/molecular docking/electrostatic complementarity analysis.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2673, doi. 10.1007/s11030-022-10574-7

By:

Raju, Baddipadige;
Sapra, Bharti;
Silakari, Om

Publication type:

Article

Design, synthesis and anticancer activity of 5-((2-(4-bromo/chloro benzoyl) benzofuran-5-yl) methyl)-2-((1-(substituted)-1H-1,2,3-triazol-4-yl)methoxy)benzaldehyde analogues.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2695, doi. 10.1007/s11030-022-10575-6

By:

Vishnu, T.;
Veerabhadraiah, M.;
Krishna Chaitanya, V.;
Nagamani, M.;
Raghavender, M.;
Jalapathi, P.

Publication type:

Article

Synthesis, biological assessment, and computational investigations of nifedipine and monastrol analogues as anti-leishmanial major and anti-microbial agents.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2555, doi. 10.1007/s11030-022-10569-4

By:

Khalilzadeh, Mahdieh;
Saberi, Sedigheh;
Noori, Ghazal;
Vaziri, Mostafa;
Sepehri, Saghi;
Bakherad, Hamid;
Esmaeili-Fallah, Mahsa;
Mirzayi, Sahar;
Farhadi, Ghazaleh

Publication type:

Article

Silver acetate-catalyzed synthesis of cyclic sulfonyl guanidine with exocyclic double bond.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2545, doi. 10.1007/s11030-022-10568-5

By:

Goswami, Dikshita;
Mishra, Debashish;
Phukan, Prodeep

Publication type:

Article

Insight into the Hantaan virus RNA-dependent RNA polymerase inhibition using in-silico approaches.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2505, doi. 10.1007/s11030-022-10567-6

By:

Faisal, Shah;
Badshah, Syed Lal;
Sharaf, Mohamed;
Abdalla, Mohnad

Publication type:

Article

Mce1R of Mycobacterium tuberculosis prefers long-chain fatty acids as specific ligands: a computational study.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2523, doi. 10.1007/s11030-022-10566-7

By:

Maity, Dipanwita;
Singh, Dheeraj;
Bandhu, Amitava

Publication type:

Article

Multimodal multi-task deep neural network framework for kinase–target prediction.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2491, doi. 10.1007/s11030-022-10565-8

By:

Hua, Yi;
Luo, Lin;
Qiu, Haodi;
Huang, Dingfang;
Zhao, Yang;
Liu, Haichun;
Lu, Tao;
Chen, Yadong;
Zhang, Yanmin;
Jiang, Yulei

Publication type:

Article

Exploration of a library of piperonylic acid-derived hydrazones possessing variable aryl functionalities as potent dual cholinesterase and monoamine oxidase inhibitors.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2465, doi. 10.1007/s11030-022-10564-9

By:

Kumar, V. Pavan;
Vishnu, M. S.;
Kumar, Sandeep;
Jaiswal, Shivani;
Ayyannan, Senthil Raja

Publication type:

Article

Unexpected synthesis of 4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butyl-H-sulfite as a catalyst for the synthesis of pyrazolophthalazines.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2453, doi. 10.1007/s11030-022-10563-w

By:

Oliaei, Seyyed Sajjad;
Habibi, Davood;
Heydari, Somayyeh;
Karamian, Roya;
Ghasemian Sorboni, Shokufeh

Publication type:

Article

PEG-mediated synthesis, antibacterial, antifungal and antioxidant studies of some new 1,3,5-trisubstituted 2-pyrazolines.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2441, doi. 10.1007/s11030-022-10562-x

By:

Dhonnar, Sunil L.;
Jagdale, Bapu S.;
Adole, Vishnu A.;
Sadgir, Nutan V.

Publication type:

Article

Targeting notch signaling pathway in breast cancer stem cells through drug repurposing approach.

Published in:

Molecular Diversity, 2023, v. 27, n. 6, p. 2431, doi. 10.1007/s11030-022-10561-y

By:

Pathak, Yamini;
Camps, Ihosvany;
Mishra, Amaresh;
Tripathi, Vishwas

Publication type:

Article